SCHEMBL441441

SCHEMBL441441

CC(C)CCCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.43
DUSP3 P51452 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8106724 0.98 SMN1; SMN2 (0.50) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL8250393 0.98 SMN1; SMN2 (0.50) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL28674027 0.98 SMN1; SMN2 (0.50) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL105227 0.94 KEAP1 (0.54) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL23179801 0.86 KEAP1 (0.47) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL8648555 0.85 KDM4E (0.47) KEAP1SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL104455 0.85 KDM4E (0.47) KEAP1SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL9015008 0.84 PAOX (0.60) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3
SCHEMBL26375600 0.84 LMNA (0.43) SMN1; SMN2SIGMAR1HRH3LMNA
SCHEMBL13254988 0.84 KEAP1 (0.48) KEAP1SMN1; SMN2ALDH1A1HPGDDUSP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
WO-2024086814-A2 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2024-04-25 WO disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230002335-A1 SMALL MOLECULE ENHANCEMENT OF 20S PROTEASOME ACTIVITY TARGETS INTRINSICALLY DISORDERED PROTEINS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2023-01-05 US disclosed
US-11358942-B2 Substituted phenothiazines as proteasome activators BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2022-06-14 US disclosed
US-20220056021-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2022-02-24 US disclosed
US-20210121397-A1 BIODEGRADABLE INTRAVITREAL TYROSINE KINASE IMPLANTS ALLERGAN INC (US) 2021-04-29 US disclosed
US-20080260803-A1 Producing eye insertable drug delivery agent; extruding active ingredient with polyvinyl alcohol free biodegradable polymer ALLERGAN,INC. (US) 2008-10-23 US disclosed
US-20080254096-A1 Using polyvinyl alcohol free biodegradable polymer matrix; reducing side effects, invasive procedures and high transient concentrations; glaucoma, proliferative vitreoretinopathy ALLERGAN,INC (US) 2008-10-16 US disclosed
US-20080254096-A1 Using polyvinyl alcohol free biodegradable polymer matrix; reducing side effects, invasive procedures and high transient concentrations; glaucoma, proliferative vitreoretinopathy ALLERGAN,INC (US) 2008-10-16 US disclosed
US-20080241252-A1 METHODS AND COMPOSITIONS FOR INTRAOCULAR ADMINISTRATION TO TREAT OCULAR CONDITIONS ALLERGAN, INC. (US) 2008-10-02 US disclosed
US-20080241252-A1 METHODS AND COMPOSITIONS FOR INTRAOCULAR ADMINISTRATION TO TREAT OCULAR CONDITIONS ALLERGAN, INC. (US) 2008-10-02 US disclosed
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US disclosed
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11358942-B2 Substituted phenothiazines as proteasome activators PSMG3, ADRM1, PSME3 KEAP1 105/4885SMN1; SMN2 84/4885ALDH1A1 3087/4885
US-20210121397-A1 BIODEGRADABLE INTRAVITREAL TYROSINE KINASE IMPLANTS KDR, PTK2B, DSTYK KEAP1 2841/4885SMN1; SMN2 3832/4885ALDH1A1 1500/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 KEAP1 1457/4885SMN1; SMN2 4050/4885ALDH1A1 3948/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 KEAP1 2951/4885SMN1; SMN2 675/4885ALDH1A1 1197/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 KEAP1 1668/4885SMN1; SMN2 2812/4885ALDH1A1 2597/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP KEAP1 1367/4885SMN1; SMN2 2866/4885ALDH1A1 1899/4885
US-20230002335-A1 SMALL MOLECULE ENHANCEMENT OF 20S PROTEASOME ACTIVITY TARGETS INTRINSICALLY DISORDERED PROTEINS PSMG3, PSME3, PSME1 KEAP1 686/4885SMN1; SMN2 118/4885ALDH1A1 3600/4885
US-20220056021-A1 ANTICANCER COMPOUNDS TP53, MCL1, MYC KEAP1 205/4885SMN1; SMN2 2492/4885ALDH1A1 796/4885
US-20080254096-A1 Using polyvinyl alcohol free biodegradable polymer matrix; reducing side effects, invasive procedures and high transient concentrations; glaucoma, proliferative vitreoretinopathy VEGFA, PTK2, KDR KEAP1 3932/4885SMN1; SMN2 4227/4885ALDH1A1 1521/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE KEAP1 2889/4885SMN1; SMN2 4875/4885ALDH1A1 2185/4885
US-20080241252-A1 METHODS AND COMPOSITIONS FOR INTRAOCULAR ADMINISTRATION TO TREAT OCULAR CONDITIONS FLT1, JAK1, KDR KEAP1 2155/4885SMN1; SMN2 2992/4885ALDH1A1 4379/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 KEAP1 1194/4885SMN1; SMN2 3388/4885ALDH1A1 2264/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.