SCHEMBL8380277

SCHEMBL8380277

CCC(C)(C)c1noc(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RARB P10826 1/20 0.33
PLA2G2A P14555 1/20 0.31

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
Hydrochloric Acid SCHEMBL16244795 0.81 CTH (0.39) CTHALDH1A1RARB
SCHEMBL21449551 0.79 PLA2G2A (0.40) ALDH1A1PLA2G2A
SCHEMBL20915371 0.79 PLA2G2A (0.40) ALDH1A1PLA2G2A
SCHEMBL22273360 0.79 PLA2G2A (0.40) ALDH1A1PLA2G2A
SCHEMBL20915256 0.79 PLA2G2A (0.40) ALDH1A1PLA2G2A
SCHEMBL20915198 0.79 PLA2G2A (0.40) ALDH1A1PLA2G2A
SCHEMBL20936451 0.79 PLA2G2A (0.40) ALDH1A1PLA2G2A
SCHEMBL20915385 0.79 PLA2G2A (0.40) ALDH1A1PLA2G2A
SCHEMBL20936519 0.79 PLA2G2A (0.40) ALDH1A1PLA2G2A
SCHEMBL84973 0.79 CTH (0.42) CTHALDH1A1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
EP-3212643-B1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-03-20 EP disclosed
EP-3354651-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2018-08-01 EP disclosed
US-9850236-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-12-26 US disclosed
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-8212052-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2012-07-03 US disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 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-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORC, RORA, RORB CTH 4638/4885ALDH1A1 59/4885RARB 16/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CTH 4406/4885ALDH1A1 2053/4885RARB 2889/4885
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORA, RORC, RORB CTH 4655/4885ALDH1A1 50/4885RARB 13/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 CTH 3317/4885ALDH1A1 919/4885RARB 539/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 CTH 3317/4885ALDH1A1 919/4885RARB 539/4885

“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.