SCHEMBL17864623

SCHEMBL17864623

Cc1cc(O)c(C)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
SELE P16581 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 2/20 0.43
CA2 P00918 1/20 0.43
TYR P14679 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.36
TRPA1 O75762 1/20 0.36
AR P10275 2/20 0.36
HSPA5 P11021 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL91657 0.83 SMN1; SMN2 (0.40) ACHEALDH1A1SMN1; SMN2POLBCA2
SCHEMBL19765517 0.82 CA1 (0.39) ACHEALDH1A1SMN1; SMN2CA2TMPRSS4
SCHEMBL24114399 0.80 AKT1 (0.41) ACHEALDH1A1TMPRSS4KDM4EKMT2A
SCHEMBL3910478 0.79 ALDH1A1 (0.62) ACHESELLSELPSELEALDH1A1
SCHEMBL17897742 0.78 SELL (0.41) ACHESELLSELPSELEALDH1A1
SCHEMBL30973561 0.78 SELL (0.41) ACHESELLSELPSELEALDH1A1
SCHEMBL27255621 0.78 SMN1; SMN2 (0.61) ACHESELLSELPSELEALDH1A1
SCHEMBL13550098 0.76 RAPGEF4 (0.41) ACHEALDH1A1SMN1; SMN2POLBCA2
SCHEMBL83777 0.74 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL69718 0.74 ACHE (1.00) ACHESELLSELPSELEALDH1A1

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 7 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-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 (3 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 ACHE 1697/4885SELL 4341/4885SELP 4625/4885
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ACHE 1697/4885SELL 4341/4885SELP 4625/4885
US-10385044-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RARG ACHE 1848/4885SELL 4389/4885SELP 4443/4885

“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.