SCHEMBL10001141

SCHEMBL10001141

C=Cc1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TDP1 Q9NUW8 2/20 0.41
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ESRRG P62508 2/20 0.35

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
SCHEMBL803878 0.86 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TDP1THRA
SCHEMBL10782676 0.84 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TDP1THRA
SCHEMBL17148386 0.83 MAPT (0.44) ALDH1A1TDP1PGRARKMT2A
SCHEMBL24482502 0.83 PGR (0.40) ALDH1A1TDP1PGRARKMT2A
SCHEMBL10031827 0.82 PGR (0.47) ALDH1A1PGRARSMN1; SMN2CA2
SCHEMBL7071203 0.81 TAS1R3 (0.41) ALDH1A1TAS1R3TAS1R1TDP1THRA
SCHEMBL6421760 0.81 TAS1R3 (0.46) ALDH1A1TAS1R3TAS1R1TDP1THRA
SCHEMBL9359052 0.81 ALDH1A1 (0.56) ALDH1A1PGRARKMT2AMAPT
SCHEMBL23419327 0.79 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TDP1THRA
SCHEMBL942133 0.79 CES1 (0.54) ALDH1A1TAS1R3TAS1R1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210388290-A1 LAUNDRY CARE OR DISH CARE COMPOSITIONS COMPRISING POLY ALPHA-1,6-GLUCAN ESTERS THE PROCTER & GAMBLE COMPANY 2021-12-16 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 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 (1 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 ALDH1A1 48/4885TAS1R3 3550/4885TAS1R1 4396/4885

“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.