SCHEMBL503866

SCHEMBL503866

[CH2]CCc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.68
ESR2 Q92731 2/20 0.68
CA2 P00918 1/20 0.59
ALDH1A1 P00352 3/20 0.56
ADRA2A P08913 3/20 0.56
SLC6A2 P23975 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HTR1A P08908 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR3A P46098 1/20 0.56
BACE1 P56817 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LTA4H P09960 1/20 0.54
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL2745550 0.85 GFER (0.42) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL4967337 0.84 ESR1 (0.62) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL5536586 0.82 ESR1 (0.59) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL3873458 0.82 ESR1 (1.00) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL69344 0.82 ESR1 (1.00) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL2323477 0.80 ESR1 (0.63) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL504392 0.80 ESR1 (0.63) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL2686704 0.80 ESR1 (0.63) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL3360491 0.78 CA2 (0.59) ESR1ESR2CA2ALDH1A1KDM4E
SCHEMBL7520034 0.78 TSHR (0.46) ESR1ESR2CA2ALDH1A1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116273203-B Method for preparing cyclohexane fuel by catalytic lignin pyrolysis oil hydrodeoxygenation through hollow NiCo/NC cage-shaped polyhedral catalyst 宁夏大学 2024-07-16 CN claimed
WO-2024104384-A1 INDENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS NUCMITO PHARMACEUTICALS CO. LTD. (CN) 2024-05-23 WO claimed
CN-116273203-A Method for preparing cyclohexane fuel by catalytic lignin pyrolysis oil hydrodeoxygenation through hollow NiCo/NC cage-shaped polyhedral catalyst 宁夏大学 2023-06-23 CN claimed
CN-114015082-A Method for preparing functional grape seed nano-sphere particles by utilizing grape seeds and product thereof 齐鲁工业大学 2022-02-08 CN claimed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US claimed
EP-2768814-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX Discoveries OY (FI) 2014-08-27 EP claimed
WO-2013057372-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS PULKKINEN JUHA (FI) 2013-04-25 WO claimed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US claimed
CN-102812033-A N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INST MATERIA MEDICA CAMS 2012-12-05 CN claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP claimed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US claimed
CN-1180358-A Bridged indoles as matrix metalloprotease inhibitors SYNTEX INC (US) 1998-04-29 CN claimed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP claimed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO claimed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO claimed
US-5047399-A Hypotensive Agents SCHERING CORPORATION (US) 1991-09-10 US claimed
US-5047491-A Molding materials; waterproofing, oil repellents, antifouling agents CHISSO CORPORATION (JP) 1991-09-10 US claimed
EP-0355497-A2 Polyorganosiloxane compounds Chisso Corporation (JP) 1990-02-28 EP claimed
US-4537890-A 2-(3,5-Substituted-2-pyridylalkylamino)-5-oxopyridylmethyl-4-pyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-08-27 US claimed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, SHBG ESR1 46/4885ESR2 26/4885CA2 3585/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ESR1 2260/4885ESR2 3107/4885CA2 3762/4885

“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.