SCHEMBL9764361

SCHEMBL9764361

O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
CYP17A1 P05093 3/20 0.43
NAAA Q02083 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 3/20 0.36
EPHX1 P07099 4/20 0.34
CA2 P00918 1/20 0.34
CASR P41180 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL686205 0.84 CYP19A1 (0.48) CYP19A1CYP17A1NAAANPSR1TSHR
SCHEMBL24901084 0.82 CYP19A1 (0.40) CYP19A1CYP17A1NAAANPSR1TSHR
SCHEMBL9971266 0.82 CYP19A1 (0.40) CYP19A1CYP17A1NAAANPSR1TSHR
SCHEMBL11358004 0.82 SCN9A (0.34) CYP19A1CYP17A1NAAA
SCHEMBL10257005 0.81 CYP19A1 (0.40) CYP19A1CYP17A1NAAANPSR1TSHR
SCHEMBL10188280 0.81 CYP19A1 (0.40) CYP19A1CYP17A1NAAANPSR1TSHR
SCHEMBL18467939 0.81 CYP19A1 (0.40) CYP19A1CYP17A1NAAANPSR1TSHR
SCHEMBL18648367 0.81 CYP19A1 (0.46) CYP19A1CYP17A1NAAANPSR1TSHR
SCHEMBL686582 0.81 CYP19A1 (0.40) CYP19A1CYP17A1NAAANPSR1TSHR
SCHEMBL20697766 0.81 TSHR (0.40) CYP19A1CYP17A1NPSR1TSHREPHX2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608313-B2 Adamantylmethylamine derivative and use thereof as pharmaceutical TOHOKU UNIVERSITY (JP) 2023-03-21 US disclosed
EP-3757676-A1 PHOTOSENSITIVE RESIN COMPOSITION, PRODUCTION METHOD THEREFOR, RESIST FILM, PATTERN FORMATION METHOD, AND METHOD FOR PRODUCING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2020-12-30 EP disclosed
US-10450259-B2 Compositions and methods for hydrocarbon functionalization UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2019-10-22 US disclosed
US-20170152207-A1 COMPOSITIONS AND METHODS FOR HYDROCARBON FUNCTIONALIZATION UNITED STATES DEPARTMENT OF ENERGY 2017-06-01 US disclosed
US-9604890-B2 Compositions and methods for hydrocarbon functionalization THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-03-28 US disclosed
US-20160145188-A1 COMPOSITIONS AND METHODS FOR HYDROCARBON FUNCTIONALIZATION UNITED STATES DEPARTMENT OF ENERGY 2016-05-26 US disclosed
WO-2014210270-A1 COMPOSITIONS AND METHODS FOR HYDROCARBON FUNCTIONALIZATION THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-12-31 WO disclosed
US-5015758-A Process for the preparation of 1-adamantane derivatives CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1991-05-14 US disclosed
US-4284558-A Chemical process for fluorinating a tertiary carbon atom in the steroid nucleus RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY, INC. (US) 1981-08-18 US disclosed
US-4036864-A Chemical process RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) 1977-07-19 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 (4 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-20160145188-A1 COMPOSITIONS AND METHODS FOR HYDROCARBON FUNCTIONALIZATION AHR, HMOX2, ALKBH3 CYP19A1 396/4885CYP17A1 1201/4885NAAA 1361/4885
US-10450259-B2 Compositions and methods for hydrocarbon functionalization AHR, HMOX2, HCCS CYP19A1 224/4885CYP17A1 1070/4885NAAA 1206/4885
US-20170152207-A1 COMPOSITIONS AND METHODS FOR HYDROCARBON FUNCTIONALIZATION AHR, HMOX2, ALKBH3 CYP19A1 396/4885CYP17A1 1201/4885NAAA 1361/4885
US-11608313-B2 Adamantylmethylamine derivative and use thereof as pharmaceutical APP, BACE1, PSEN1 CYP19A1 691/4885CYP17A1 390/4885NAAA 118/4885

“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.