SCHEMBL426335

SCHEMBL426335

COc1cc(OCCCC=O)ccc1C=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAOB P27338 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.47
CYP1A1 P04798 4/20 0.45
CYP1B1 Q16678 4/20 0.45
CYP1A2 P05177 3/20 0.45
TUBB1 Q9H4B7 1/20 0.45
ERN1 O75460 4/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
S1PR1 P21453 1/20 0.42
LY96 Q9Y6Y9 1/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NFE2L2 Q16236 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
SCHEMBL4059477 0.88 ALDH1A1 (0.67) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1
SCHEMBL5654410 0.85 ALDH1A1 (0.63) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1
SCHEMBL5654406 0.85 ALDH1A1 (0.63) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1
SCHEMBL13683800 0.85 ALDH1A1 (0.63) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1
SCHEMBL5143351 0.84 ALDH1A1 (0.67) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1
SCHEMBL18045690 0.84 ALDH1A1 (0.67) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1
SCHEMBL20892596 0.84 ALDH1A1 (0.67) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1
SCHEMBL702232 0.84 ALDH1A1 (0.71) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1
SCHEMBL14195830 0.84 MAOB (0.62) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1
SCHEMBL4063273 0.84 MAOB (0.62) ALDH1A1MAOBL3MBTL1CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026218-B2 Bifunctional analgesic compounds for opioid receptor agonists and neurokinin-1 receptor antagonists THE UNIVERSITY OF ARIZONA (US) 2011-09-27 US claimed
US-20080039404-A1 BIFUNCTIONAL ANALGESIC COMPOUNDS FOR OPIOID RECEPTOR AGONISTS AND NEUROKININ-1 RECEPTOR ANTAGONISTS UNIVERSITY OF ARIZONA (US) 2008-02-14 US claimed
US-20050130228-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2005-06-16 US claimed
US-20030138847-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2003-07-24 US claimed
EP-1268050-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. Lundbeck A/S (DK) 2003-01-02 EP claimed
WO-2001068598-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. LUNDBECK A/S (DK) 2001-09-20 WO claimed
US-11952434-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-09 US disclosed
US-20230101323-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-03-30 US disclosed
CN-114652813-A Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-06-24 CN disclosed
US-11358988-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-14 US disclosed
CN-107108698-B Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-04-29 CN disclosed
US-20220017572-A1 GEMINOID LIPOPEPTIDE COMPOUNDS AND THEIR USES ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2022-01-20 US disclosed
EP-3778622-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2021-02-17 EP disclosed
US-20020058654-A1 Substituted aminoalkylamide derivatives as antagonists of follicle stimulating hormone ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-05-16 US disclosed
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases AVENTISUB INC. 2002-03-28 US disclosed
WO-2001068598-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. LUNDBECK A/S (DK) 2001-09-20 WO disclosed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO disclosed
WO-2001016113-A1 TRACELESS SOLID PHASE SYNTHESIS OF AROMATIC AND HETEROAROMATIC COMPOUNDS SIDDCO (US) 2001-03-08 WO disclosed
EP-1078002-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 2001-02-28 EP disclosed
WO-1999061476-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 1999-12-02 WO 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 (6 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-11952434-B2 Immunomodulators CD74, ICOS, HAVCR2 ALDH1A1 1217/4885MAOB 3066/4885L3MBTL1 1391/4885
US-20020058654-A1 Substituted aminoalkylamide derivatives as antagonists of follicle stimulating hormone FSHR, GNRHR, SHBG ALDH1A1 2217/4885MAOB 152/4885L3MBTL1 4619/4885
US-20230101323-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 ALDH1A1 1217/4885MAOB 3066/4885L3MBTL1 1391/4885
US-20220017572-A1 GEMINOID LIPOPEPTIDE COMPOUNDS AND THEIR USES NGLY1, NR2C2, NR2E1 ALDH1A1 4840/4885MAOB 4667/4885L3MBTL1 2048/4885
US-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 ALDH1A1 1217/4885MAOB 3066/4885L3MBTL1 1391/4885
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases MMP3, MMP1, MMP9 ALDH1A1 281/4885MAOB 198/4885L3MBTL1 4709/4885

“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.