SCHEMBL10053940

SCHEMBL10053940

COc1cc(C)cc(O)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.59
CYP3A4 P08684 4/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
RECQL P46063 2/20 0.48
KDM4E B2RXH2 2/20 0.48
APEX1 P27695 1/20 0.48
MPI P34949 1/20 0.48
KMT2A Q03164 1/20 0.48
ERN1 O75460 1/20 0.47
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
SELE P16581 1/20 0.46
PTPN1 P18031 1/20 0.44
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FASN P49327 1/20 0.40
TP53 P04637 2/20 0.39

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
SCHEMBL10053939 0.83 SELL (0.62) ACHECYP3A4ALDH1A1MAPTPOLB
SCHEMBL2611542 0.82 ACHE (0.65) ACHECYP3A4ALDH1A1MAPTPOLB
SCHEMBL5727264 0.81 ACHE (0.52) ACHEALDH1A1MAPTPOLBGAA
SCHEMBL31496789 0.81 ACHE (0.52) ACHEALDH1A1MAPTPOLBGAA
SCHEMBL69301 0.81 CYP3A4 (0.56) ACHECYP3A4MAPTPOLBGAA
SCHEMBL29421895 0.79 ACHE (0.70) ACHECYP3A4ALDH1A1MAPTPOLB
Methoxymethane SCHEMBL28032536 0.79 CYP3A4 (0.54) ACHECYP3A4MAPTPOLBGAA
SCHEMBL3300408 0.79 CYP3A4 (0.74) CYP3A4ALDH1A1MAPTERN1PTPN1
SCHEMBL30277943 0.79 CYP3A4 (0.74) CYP3A4ALDH1A1MAPTERN1PTPN1
SCHEMBL1427958 0.79 ACHE (0.70) ACHECYP3A4ALDH1A1MAPTPOLB

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 11 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
WO-2019034009-A1 Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2019-02-21 WO 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-20180065904-A1 INTRODUCTION OF ALKYL SUBSTITUENTS TO AROMATIC COMPOUNDS B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2018-03-08 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
US-8106051-B2 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI SHIONOGI & CO., LTD. (JP) 2012-01-31 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080206158-A1 Benzoic Acid Ester Compounds, Compositions, Uses and Methods Related Thereto FERRER INTERNACIONAL, S.A. (ES) 2008-08-28 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 (6 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-20180065904-A1 INTRODUCTION OF ALKYL SUBSTITUENTS TO AROMATIC COMPOUNDS TST, NAT1, CBS ACHE 4665/4885CYP3A4 206/4885ALDH1A1 204/4885
US-20210130337-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ACHE 1697/4885CYP3A4 2654/4885ALDH1A1 253/4885
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB ACHE 1345/4885CYP3A4 249/4885ALDH1A1 1284/4885
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ACHE 1697/4885CYP3A4 2654/4885ALDH1A1 253/4885
US-10385044-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RARG ACHE 1848/4885CYP3A4 2830/4885ALDH1A1 239/4885
US-20080206158-A1 Benzoic Acid Ester Compounds, Compositions, Uses and Methods Related Thereto VKORC1, CYP51A1, CYP19A1 ACHE 2062/4885CYP3A4 146/4885ALDH1A1 160/4885

“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.