SCHEMBL177988

SCHEMBL177988

COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)N(C)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
KDM4E B2RXH2 9/20 1.00
HSD17B10 Q99714 8/20 1.00
HPGD P15428 7/20 1.00
MAPT P10636 6/20 1.00
CYP2D6 P10635 6/20 1.00
CYP3A4 P08684 6/20 1.00
CYP2C19 P33261 3/20 1.00
TP53 P04637 3/20 1.00
CASP1 P29466 3/20 1.00
CASP7 P55210 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
GLA P06280 1/20 1.00
THRB P10828 1/20 1.00
ALOX15 P16050 1/20 1.00
MAPK1 P28482 1/20 1.00
BLM P54132 1/20 1.00
CYP2C9 P11712 4/20 0.88
HTR7 P34969 3/20 0.88

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
SCHEMBL14029527 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDMAPT
Isoboldine SCHEMBL29486797 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDMAPT
Isoboldine SCHEMBL29700583 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDMAPT
Isoboldine SCHEMBL12140647 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL30096101 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDMAPT
Isoboldine SCHEMBL11240744 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL14029497 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL11254471 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL14124100 0.93 ALDH1A1 (0.86) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL11246440 0.93 ALDH1A1 (0.86) ALDH1A1KDM4EHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067187-B2 Cross-β structure binding compounds CROSSBETA BIOSCIENCES B.V. (NL) 2011-11-29 US claimed
CN-119943132-A Dactylicapnos pain-relieving related quality marker, screening method and application thereof 中国科学院大连化学物理研究所 2025-05-06 CN disclosed
CN-105833131-A Preparation for treating gastric ulcer and duodenal ulcer and preparation method 张桂臣 2016-08-10 CN disclosed
CN-105770760-A Preparation for treating gastric ulcer and preparation method thereof 张桂臣 2016-07-20 CN disclosed
US-8460642-B2 Boldline compounds for promoting bone growth OssiFi, Inc. (US) 2013-06-11 US disclosed
US-20120301509-A1 BOLDLINE COMPOUNDS FOR PROMOTING BONE GROWTH OSTEOGENEX, INC. (US) 2012-11-29 US disclosed
US-8202995-B2 Pharmaceutically acceptable salts of aporphine derivatives and carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2012-06-19 US disclosed
US-8202995-B2 Pharmaceutically acceptable salts of aporphine derivatives and carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2012-06-19 US disclosed
US-8202995-B2 Pharmaceutically acceptable salts of aporphine derivatives and carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2012-06-19 US disclosed
EP-1910844-B1 CROSS-BETA STRUCTURE BINDING COMPOUNDS CROSSBETA BIOSCIENCES BV (NL) 2012-04-18 EP disclosed
WO-2002016325-A1 USES OF THALIPORPHINE OR ITS DERIVATIVES IN TREATMENT OF CARDIAC DISEASES AND PREPARATION OF SAME SU MINGJAI (CN) 2002-02-28 WO disclosed
WO-2002016325-A1 USES OF THALIPORPHINE OR ITS DERIVATIVES IN TREATMENT OF CARDIAC DISEASES AND PREPARATION OF SAME SU MINGJAI (CN) 2002-02-28 WO disclosed
WO-2002016325-A1 USES OF THALIPORPHINE OR ITS DERIVATIVES IN TREATMENT OF CARDIAC DISEASES AND PREPARATION OF SAME SU MINGJAI (CN) 2002-02-28 WO disclosed
US-6313134-B1 FOR THERAPY AND PROPHYLAXIS OF CARDIAC DISEASE SELECTED FROM THE GROUP CONSISTING OF CARDIAC ARRHYTHMIA, MYOCARDIAL ISCHEMIA, MYOCARDIAL INFARCTION, SUDDEN DEATH CAUSED BY CARDIAC ARRHYTHMIAMYOCARDIAL INFARCTION NATIONAL SCIENCE COUNCIL (TW) 2001-11-06 US disclosed
US-6313134-B1 FOR THERAPY AND PROPHYLAXIS OF CARDIAC DISEASE SELECTED FROM THE GROUP CONSISTING OF CARDIAC ARRHYTHMIA, MYOCARDIAL ISCHEMIA, MYOCARDIAL INFARCTION, SUDDEN DEATH CAUSED BY CARDIAC ARRHYTHMIAMYOCARDIAL INFARCTION NATIONAL SCIENCE COUNCIL (TW) 2001-11-06 US disclosed
US-6313134-B1 FOR THERAPY AND PROPHYLAXIS OF CARDIAC DISEASE SELECTED FROM THE GROUP CONSISTING OF CARDIAC ARRHYTHMIA, MYOCARDIAL ISCHEMIA, MYOCARDIAL INFARCTION, SUDDEN DEATH CAUSED BY CARDIAC ARRHYTHMIAMYOCARDIAL INFARCTION NATIONAL SCIENCE COUNCIL (TW) 2001-11-06 US disclosed
WO-1999016441-A1 APORPHINOID MATRIX METALLOPROTEINASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 1999-04-08 WO disclosed
US-4309542-A WITH A TRIMETHYLPHENYLAMMONIUM BASE WARNER-LAMBERT COMPANY (US) 1982-01-05 US disclosed
US-4202980-A Process for the preparation of 1-hydroxyaporphine-derivatives WARNER-LAMBERT COMPANY (US) 1980-05-13 US disclosed
US-4120964-A HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1978-10-17 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-20120301509-A1 BOLDLINE COMPOUNDS FOR PROMOTING BONE GROWTH BMP2, BMP1, FGF23 ALDH1A1 3250/4885KDM4E 597/4885HSD17B10 2211/4885

“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.