SCHEMBL547773

SCHEMBL547773

COc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@H](O)CC[C@H]3[C@@H]1CC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.66
LMNA P02545 5/20 0.66
CYP19A1 P11511 5/20 0.66
CYP1A2 P05177 3/20 0.66
CYP3A4 P08684 3/20 0.66
CYP1B1 Q16678 3/20 0.66
TSHR P16473 3/20 0.66
MEN1 O00255 3/20 0.66
MAPT P10636 3/20 0.66
KMT2A Q03164 3/20 0.66
SHBG P04278 3/20 0.66
CYP1A1 P04798 2/20 0.66
CYP2C19 P33261 2/20 0.66
BLM P54132 2/20 0.66
PMP22 Q01453 2/20 0.66
GAA P10253 2/20 0.66
TP53 P04637 1/20 0.66
NFKB1 P19838 1/20 0.66
THPO P40225 1/20 0.66
GMNN O75496 1/20 0.66

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
SCHEMBL8459399 1.00 HSD17B10 (0.66) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL980770 0.92 HSD17B10 (0.64) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL1509625 0.91 HSD17B10 (0.63) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL7621594 0.89 HSD17B10 (0.60) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL11875499 0.89 HSD17B10 (0.67) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL11577800 0.89 HSD17B10 (0.67) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL301391 0.87 LMNA (0.61) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL10711260 0.87 HSD17B10 (0.58) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL29027144 0.87 LMNA (0.61) HSD17B10LMNACYP19A1CYP1A2CYP3A4
SCHEMBL16369629 0.87 HSD17B10 (0.58) HSD17B10LMNACYP19A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230003721-A1 MITOTHERAPEUTICS FOR THE TREATMENT OF BRAIN DISORDERS THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2023-01-05 US claimed
CN-113480588-A Preparation method of estradiol mesilate 南雄阳普医疗科技有限公司 2021-10-08 CN claimed
EP-0340247-B1 NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO 3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-28 EP claimed
US-5093490-A Process for optical resolution of bicyclo[3.3.0]octane-3,7-dione-2 carboxylic acid esters and their 7-monoketals SCHERING AKTIENGESELLSCHAFT 1992-03-03 US claimed
CN-88101278-A Optical resolution bicyclo (3,3,0) suffering-3, the novel method of 7-diketone-2-carboxylicesters and 7-one ketal thereof 1988-09-28 CN claimed
US-20230056311-A1 METHOD FOR IMPROVING PRODUCTION OF STREPTOMYCES POLYKETIDE COMPOUNDS INSTITUTE OF MICROBIOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-23 US disclosed
US-20230003721-A1 MITOTHERAPEUTICS FOR THE TREATMENT OF BRAIN DISORDERS THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2023-01-05 US disclosed
CN-113480588-A Preparation method of estradiol mesilate 南雄阳普医疗科技有限公司 2021-10-08 CN disclosed
CN-113480588-A Preparation method of estradiol mesilate 南雄阳普医疗科技有限公司 2021-10-08 CN disclosed
US-20140378426-A1 Methods and compositions for enhancing visual function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-25 US disclosed
US-8793078-B2 Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) 2014-07-29 US disclosed
US-20130123523-A1 METHODS FOR THE PREPARATION OF ETONOGESTREL AND DESOGESTREL EVESTRA, INC. 2013-05-16 US disclosed
WO-2003002058-A2 BONE ANABOLIC COMPOUNDS AND METHODS OF USE ANABONIX, INC. (US) 2003-01-09 WO disclosed
WO-2002102390-A1 ENHANCED DRUG DELIVERY IN TRANSDERMAL SYSTEMS NOVEN PHARMACEUTICALS, INC. (US) 2002-12-27 WO disclosed
US-5962445-A Treatment of asthma and airway diseases AMRAD OPERATIONS PTY LTD. (AU) 1999-10-05 US disclosed
US-5760255-A Process for the conversion of hydroxyl groups into the corresponding fluorine compounds BAYER AG (DE) 1998-06-02 US disclosed
US-5093490-A Process for optical resolution of bicyclo[3.3.0]octane-3,7-dione-2 carboxylic acid esters and their 7-monoketals SCHERING AKTIENGESELLSCHAFT 1992-03-03 US disclosed
CN-88101278-A Optical resolution bicyclo (3,3,0) suffering-3, the novel method of 7-diketone-2-carboxylicesters and 7-one ketal thereof 1988-09-28 CN disclosed
US-4050998-A Electrolytic reduction of aromatic steroids SCHERING AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 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-20130123523-A1 METHODS FOR THE PREPARATION OF ETONOGESTREL AND DESOGESTREL GNRHR, CYP19A1, HSD17B11 HSD17B10 182/4885LMNA 800/4885CYP19A1 2/4885

“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.