SCHEMBL1506566

SCHEMBL1506566

CC(C)(C)c1ccc(Cl)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C19 P33261 2/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
TYR P14679 1/20 0.36

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
SCHEMBL799541 0.78 TSHR (0.61) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL21691223 0.78 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL82230 0.77 NOTUM (0.47) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL19785388 0.76 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9912479 0.76 TSHR (0.46) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL19544821 0.74 ALDH1A1 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL12203436 0.74 TSHR (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10610735 0.74 ALDH1A1 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL23589380 0.73 GABRA1 (0.40) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL179527 0.73 ALDH1A1 (0.64) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306084-B2 Integrin antagonists SAINT LOUIS UNIVERSITY (US) 2022-04-19 US disclosed
WO-2021129724-A1 ARYLAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE 陕西莱特光电材料股份有限公司 2021-07-01 WO disclosed
US-20190345155-A1 INTEGRIN ANTAGONISTS Indalo Therapeutics, Inc. 2019-11-14 US disclosed
US-20190345155-A1 INTEGRIN ANTAGONISTS Indalo Therapeutics, Inc. 2019-11-14 US disclosed
EP-3562826-A1 INTEGRIN ANTAGONISTS Saint Louis University (US) 2019-11-06 EP disclosed
WO-2018132268-A1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2018-07-19 WO disclosed
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-7906503-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
US-7485732-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO., INC. (US) 2009-02-03 US disclosed
US-7485732-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO., INC. (US) 2009-02-03 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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 (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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP ALDH1A1 3603/4885HPGD 2538/4885ALOX15 1762/4885
US-20190345155-A1 INTEGRIN ANTAGONISTS ITGA5, ITGB5, ITGB2 ALDH1A1 749/4885HPGD 2427/4885ALOX15 3010/4885
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives CNR1, CNR2, MAG ALDH1A1 2399/4885HPGD 3845/4885ALOX15 492/4885
US-11306084-B2 Integrin antagonists ITGA5, ITGB5, ITGB2 ALDH1A1 749/4885HPGD 2427/4885ALOX15 3010/4885

“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.