SCHEMBL17864634

SCHEMBL17864634

Cc1cc(C(F)(F)F)c(C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
HIF1A Q16665 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 2/20 0.48
MAPT P10636 2/20 0.48
CYP2D6 P10635 1/20 0.48
G6PD P11413 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38

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
SCHEMBL12572591 0.91 ALOX15 (0.48) ALDH1A1ALOX15CYP3A4MAPK1HIF1A
SCHEMBL10293004 0.84 PGK1 (0.41) ALDH1A1CYP3A4KDM4ECYP1A2CYP2D6
SCHEMBL19765562 0.84 ALDH1A1 (0.52) ALDH1A1ALOX15CYP3A4MAPK1HIF1A
SCHEMBL19765513 0.84 KDM4E (0.52) ALDH1A1ALOX15CYP3A4MAPK1HIF1A
SCHEMBL23239698 0.80 RAPGEF4 (0.40) ALDH1A1ALOX15CYP3A4MAPK1HIF1A
SCHEMBL26601715 0.80 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4MAPK1HIF1A
SCHEMBL15957621 0.80 MAPK1 (0.43) ALDH1A1ALOX15CYP3A4MAPK1HIF1A
SCHEMBL19765516 0.80 ESR1 (0.42) ALDH1A1ALOX15CYP3A4MAPK1HIF1A
SCHEMBL18272004 0.80 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4MAPK1HIF1A
SCHEMBL11995380 0.79 PGK1 (0.43) ALDH1A1CYP3A4MAPK1KDM4ECYP1A2

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-20210130337-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2021-05-06 US disclosed
US-10752616-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2020-08-25 US disclosed
US-20200131165-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2020-04-30 US disclosed
US-10385044-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2019-08-20 US disclosed
US-9994559-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2018-06-12 US disclosed
US-9994559-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2018-06-12 US disclosed
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2017-11-16 US disclosed
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2017-11-16 US disclosed
WO-2016097004-A1 BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARβ) AGONISTS KING'S COLLEGE LONDON (GB) 2016-06-23 WO 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-20210130337-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ALDH1A1 253/4885ALOX15 1461/4885CYP3A4 2654/4885
US-20200131165-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ALDH1A1 253/4885ALOX15 1461/4885CYP3A4 2654/4885
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ALDH1A1 253/4885ALOX15 1461/4885CYP3A4 2654/4885
US-10385044-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RARG ALDH1A1 239/4885ALOX15 1486/4885CYP3A4 2830/4885
US-10752616-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RXRB ALDH1A1 238/4885ALOX15 1377/4885CYP3A4 2756/4885

“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.