SCHEMBL922877

SCHEMBL922877

C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.66
▸ SERPINA6 P08185 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ SHBG P04278 2/20 0.62
▸ SLC22A1 O15245 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ PGR P06401 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ ABCB11 O95342 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ AR P10275 3/20 0.55
▸ NR3C2 P08235 2/20 0.55

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
SCHEMBL19608861 1.00 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL26425075 1.00 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL11977689 1.00 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL13216466 1.00 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
Cyclohexane Propionic Acid SCHEMBL27589911 0.84 SERPINA6 (0.49) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9116613 0.82 CYP19A1 (0.60) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL11795958 0.81 AR (0.64) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9948814 0.81 CYP19A1 (0.44) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9948623 0.81 CYP19A1 (0.44) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL24102654 0.80 PGR (0.56) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1649283-B1 METHOD FOR MEASURING AROMATASE ACTIVITY GE HEALTHCARE UK LTD (GB) 2014-06-18 — — EP claimed
US-8334387-B2 Method for measuring aromatase activity GE HEALTHCARE UK LIMITED (GB) 2012-12-18 — — US claimed
US-20110014641-A1 METHOD FOR MEASURING AROMATASE ACTIVITY GE HEALTHCARE UK LIMITED (GB) 2011-01-20 — — US claimed
US-7829714-B2 Method for measuring aromatase activity GE HEALTHCARE LIMITED (GB) 2010-11-09 — — US claimed
US-20090156843-A1 PROCESS FOR AROMATIZING 19-NORANDROST-4-EN-3-ONES TO ESTRA-1,3,5(10)-TRIENES BAYER SCHERING PHARMA AG (DE) 2009-06-18 — — US claimed
EP-1239829-B1 DEVICES FOR THE DELIVERY OF DRUGS HAVING ANTIPROGESTINIC PROPERTIES BAYER SCHERING PHARMA OY (FI) 2008-07-23 — — EP claimed
US-20070184429-A1 Method for measuring aromatase activity GE HEALTHCARE UK LIMITED (GB) 2007-08-09 — — US claimed
EP-1649283-A2 METHOD FOR MEASURING AROMATASE ACTIVITY GE Healthcare UK Limited (GB) 2006-04-26 — — EP claimed
WO-2005012901-A2 METHOD FOR MEASURING AROMATASE ACTIVITY AMERSHAM BIOSCIENCES UK LIMITED (GB) 2005-02-10 — — WO claimed
EP-0114984-B1 PROCESS FOR THE PREPARATION OF 3,11-ALPHA DIHYDROXY-1,3,5(10) ESTRATRIENE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1987-10-21 — — EP claimed
EP-0137434-A2 Estrane and androstane derivatives, process for their preparation and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1985-04-17 — — EP claimed
CN-116334113-A Conditionally active heterodimeric polypeptides and methods of use thereof 加利福尼亚大学董事会 2023-06-27 — — CN disclosed
US-10940205-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives THEMIS MEDICARE LIMITED (IN) 2021-03-09 — — US disclosed
CN-111840246-A Formulations and methods for vaginal delivery of antiprogestins 艾尔建制药国际有限公司 2020-10-30 — — CN disclosed
US-20180071390-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2018-03-15 — — US disclosed
EP-0114984-A2 Process for the preparation of 3,11-alpha dihydroxy-1,3,5(10) estratriene derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-08 — — EP disclosed
US-4464365-A 11β-Chloro-Δ15 -steroids, a process for their preparation and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-07 — — US disclosed
US-4379842-A Process for the manufacture of 1α-hydroxydehydroepiandrosterone HOFFMANN-LA ROCHE INC. (US) 1983-04-12 — — US disclosed
US-4000273-A METHOD FOR THE CONTROL OF FERTILITY RICHARDSON-MERRELL INC. (US) 1976-12-28 — — US disclosed
US-3989724-A Tetrahydropyran-2-ols HOFFMANN-LA ROCHE INC. (US) 1976-11-02 — — 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 (5 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-20180071390-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES DSG1, DEGS1, PLA2G2E CYP19A1 1344/4885SERPINA6 1891/4885ALDH1A1 2851/4885
US-20090156843-A1 PROCESS FOR AROMATIZING 19-NORANDROST-4-EN-3-ONES TO ESTRA-1,3,5(10)-TRIENES CYP19A1, HSD17B11, NR5A1 CYP19A1 1/4885SERPINA6 991/4885ALDH1A1 83/4885
US-10940205-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives DSG1, DEGS1, PLA2G2E CYP19A1 1344/4885SERPINA6 1891/4885ALDH1A1 2851/4885
US-20110014641-A1 METHOD FOR MEASURING AROMATASE ACTIVITY CYP19A1, CYP17A1, CYP21A2 CYP19A1 1/4885SERPINA6 483/4885ALDH1A1 223/4885
US-20070184429-A1 Method for measuring aromatase activity CYP19A1, CYP17A1, CYP21A2 CYP19A1 1/4885SERPINA6 483/4885ALDH1A1 223/4885

“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.

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