SCHEMBL1646807

SCHEMBL1646807

C=C(C)c1ccc(C(C)(C)OC#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TSHR P16473 1/20 0.32
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL9349607 0.82 MAPK1 (0.39) ESR1ESR2TSHRALDH1A1ALOX15
SCHEMBL14616390 0.80 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL10484418 0.77 ALDH1A1 (0.54) TSHRALDH1A1ALOX15NPSR1
SCHEMBL9545770 0.74 MAPK1 (0.43) TSHRALDH1A1ALOX15
SCHEMBL4831574 0.72 MAPK1 (0.56) ESR1ESR2TSHRALDH1A1ALOX15
SCHEMBL11281234 0.72 ESR1 (0.43) ESR1ESR2TSHRALDH1A1NPSR1
SCHEMBL465848 0.72 TSHR (0.52) TSHREPHX2ALDH1A1
SCHEMBL20794689 0.72 CA1 (0.44) TSHREPHX2ALDH1A1ALOX15NPSR1
SCHEMBL18842007 0.71 ALDH1A1 (0.34) TSHRALDH1A1ALOX15NPSR1
SCHEMBL18841947 0.70 TSHR (0.34) TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790394-B2 Floor coating compositions containing supramolecular polymers ROHM AND HAAS COMPANY (US) 2017-10-17 US disclosed
US-20120189860-A1 POLYMERIC COMPOSITIONS COMPRISING POLYLACTIC ACID OLIGOMERS AND METHODS OF MAKING THE SAME FINA TECHNOLOGY, INC. (US) 2012-07-26 US disclosed
US-20120085364-A1 METHOD FOR MAKING UP EYELASHES L'OREAL (FR) 2012-04-12 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-20120189860-A1 POLYMERIC COMPOSITIONS COMPRISING POLYLACTIC ACID OLIGOMERS AND METHODS OF MAKING THE SAME PUF60, PICALM, PARG ESR1 4684/4885ESR2 4459/4885TSHR 4753/4885

“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.