SCHEMBL5205282

SCHEMBL5205282

COc1cccc(CC=O)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA14 Q9ULX7 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ABCB1 P08183 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 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
SCHEMBL4746229 0.85 MEN1 (0.43) CA12CA1CA2CA14KMT2A
SCHEMBL11567490 0.83 SMN1; SMN2 (0.47) CA12CA1CA2CA14KMT2A
SCHEMBL7151009 0.83 AOC3 (0.49) KMT2AMEN1KDM4EL3MBTL1CYP1A2
SCHEMBL29957820 0.82 ALDH1A1 (0.54) KDM4EL3MBTL1CYP3A4CYP2D6ALDH1A1
SCHEMBL249539 0.82 ALDH1A1 (0.54) KDM4EL3MBTL1CYP3A4CYP2D6ALDH1A1
SCHEMBL7333236 0.82 CA12 (0.54) CA12CA1CA2CA14KMT2A
SCHEMBL30681592 0.81 ALDH1A1 (0.52) CA12CA1CA2CA14KMT2A
SCHEMBL3460333 0.81 ALDH1A1 (0.52) CA12CA1CA2CA14KMT2A
SCHEMBL8119377 0.81 ALDH1A1 (0.46) CA12CA1CA2CA14KMT2A
SCHEMBL464374 0.80 CA12 (0.54) CA12CA1CA2CA14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357565-A2 New process for the synthesis of the levodopa MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1990-03-07 EP claimed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
EP-3880667-A1 METHOD OF FORMING MONOMERS AND FURFURAL FROM LIGNOCELLULOSE Kat2Biz AB (SE) 2021-09-22 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2020101563-A1 METHOD OF FORMING MONOMERS AND FURFURAL FROM LIGNOCELLULOSE KAT2BIZ AB (SE) 2020-05-22 WO disclosed
EP-3638229-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE Biocryst Pharmaceuticals, Inc. (US) 2020-04-22 EP disclosed
WO-2018232094-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE BIOCRYST PHARMACEUTICALS, INC. (US) 2018-12-20 WO disclosed
WO-2018039442-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2018-03-01 WO disclosed
US-6787560-B2 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-09-07 US disclosed
US-20030191126-A1 Psychological disorders; antidepressants SUMITOMO PHARMACEUTICALS COMPANY LIMITED 2003-10-09 US disclosed
EP-1304324-A1 SEROTONIN REUPTAKE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-23 EP disclosed
US-6306876-B1 DRUGS WITH DIASTERIOMERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-10-23 US disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed
EP-0389876-A1 New process for the synthesis of the N-methyl-3,4-dimethoxyphenylethylamine Alfa Chemicals Italiana S.r.l. (IT) 1990-10-03 EP disclosed
EP-0351382-A2 Process for the synthesis of optically active aminoacids MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1990-01-17 EP disclosed
US-4622335-A AGRICULTURE BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 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 (1 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-20030191126-A1 Psychological disorders; antidepressants CRH, HTR2C, HTR1A CA12 4264/4885CA1 4162/4885CA2 3289/4885

“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.