SCHEMBL2926534

SCHEMBL2926534

Cc1ccc(OCCC(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.68
MAPK1 P28482 1/20 0.59
EPHX2 P34913 1/20 0.56
DRD2 P14416 3/20 0.52
DRD4 P21917 3/20 0.52
DRD3 P35462 3/20 0.52
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL17108357 0.94 TDP1 (0.61) TDP1MAPK1EPHX2DRD2DRD4
1,4-Diisopentoxybenzene SCHEMBL2846102 0.91 TDP1 (0.79) TDP1MAPK1EPHX2KMT2ATP53
SCHEMBL13251251 0.89 MEN1 (0.57) TDP1MAPK1EPHX2DRD2DRD4
SCHEMBL28910577 0.89 TDP1 (0.56) TDP1MAPK1EPHX2DRD2DRD4
SCHEMBL20097726 0.88 RARB (0.57) TDP1MAPK1EPHX2DRD2DRD4
SCHEMBL29083526 0.86 DRD2 (0.61) TDP1MAPK1EPHX2DRD2DRD4
SCHEMBL7855892 0.86 RARB (0.55) TDP1MAPK1EPHX2DRD2DRD4
SCHEMBL10698935 0.83 L3MBTL1 (0.52) TDP1MAPK1EPHX2DRD2DRD4
SCHEMBL22579845 0.83 DRD2 (0.48) TDP1MAPK1EPHX2DRD2DRD4
SCHEMBL14959985 0.83 L3MBTL1 (0.52) TDP1MAPK1EPHX2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277591-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR Momentive Performance Materials GmbH (DE) 2023-11-22 EP claimed
WO-2022152742-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2022-07-21 WO claimed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230150986-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNITED STATES GOVERNMENT 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 US disclosed
US-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
US-20100189644-A1 ARGINASE INHIBITORS AND METHODS OF USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-29 US disclosed
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni SIMON FRASER UNIVERSITY (CA) 2010-06-24 US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
EP-1572248-B1 SOLID-PHASE FLUORINATION OF BENZOTHIAZOLES GE HEALTHCARE LTD (GB) 2009-10-14 EP disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 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 (11 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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, LDLR TDP1 761/4885MAPK1 1518/4885EPHX2 2977/4885
US-20110178092-A1 HIV-1 Protease Inhibitors SERPINB1, PRSS1, TMPRSS4 TDP1 537/4885MAPK1 3160/4885EPHX2 3335/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 TDP1 3252/4885MAPK1 4/4885EPHX2 2625/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 TDP1 3252/4885MAPK1 4/4885EPHX2 2625/4885
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 TDP1 4604/4885MAPK1 3178/4885EPHX2 4050/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X TDP1 3110/4885MAPK1 4482/4885EPHX2 1083/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS TDP1 3901/4885MAPK1 477/4885EPHX2 1805/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP TDP1 2506/4885MAPK1 1114/4885EPHX2 4801/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 TDP1 4651/4885MAPK1 1668/4885EPHX2 3869/4885
US-20230150986-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 TDP1 2574/4885MAPK1 4152/4885EPHX2 1075/4885
US-20100189644-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, NOS2 TDP1 2823/4885MAPK1 671/4885EPHX2 628/4885

“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.