SCHEMBL2148663

SCHEMBL2148663

Cc1ccc(C#N)c(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
AR P10275 12/20 0.42
ALDH1A1 P00352 2/20 0.39
UPP1 Q16831 1/20 0.36
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL28208474 0.78 AR (0.43) TSHRARUPP1ESR1ESR2
SCHEMBL27709086 0.78 AR (0.40) TSHRARALDH1A1UPP1CYP1A2
SCHEMBL3426156 0.78 AR (0.41) TSHRAR
SCHEMBL3954053 0.78 TSHR (0.48) TSHRARALDH1A1
SCHEMBL1585098 0.77 AR (0.52) TSHRARALDH1A1UPP1
Hydrochloric Acid SCHEMBL27670198 0.77 AR (0.39) TSHRARALDH1A1UPP1CYP1A2
SCHEMBL29398131 0.74 TSHR (0.44) TSHRARALDH1A1CYP1A2
SCHEMBL7056620 0.74 AR (0.47) TSHRARUPP1TRPA1ESR1
SCHEMBL8852021 0.74 TSHR (0.44) TSHRARALDH1A1CYP1A2
SCHEMBL26094546 0.74 TSHR (0.40) TSHRARALDH1A1UPP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702045-B1 NOVEL PROCESS FOR THE PREPARATION OF ETRAVIRINE MYLAN LABORATORIES LTD (IN) 2017-10-18 EP disclosed
EP-2342186-B1 PROCESS FOR SYNTHESIS OF ETRAVIRINE EMCURE PHARMACEUTICALS LTD (IN) 2014-09-17 EP disclosed
EP-2702045-A1 NOVEL PROCESS FOR THE PREPARATION OF ETRAVIRINE Mylan Laboratories, Limited (IN) 2014-03-05 EP disclosed
US-8653266-B2 Process for the production of etravirine MYLAN LABORATORIES LIMITED (IN) 2014-02-18 US disclosed
US-20130116433-A1 PROCESS FOR THE PRODUCTION OF ETRAVIRINE MYLAN LABORATORIES LIMITED (IN) 2013-05-09 US disclosed
WO-2012147104-A1 NOVEL PROCESS FOR THE PREPARATION OF ETRAVIRINE MYLAN LABORATORIES LTD (IN) 2012-11-01 WO disclosed
US-20110196156-A1 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR GURJAR MUKUND KESHAV 2011-08-11 US disclosed
EP-2342186-A2 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR Emcure Pharmaceuticals Limited (IN) 2011-07-13 EP disclosed
WO-2010150279-A2 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR EMCURE PHARMACEUTICALS LIMITED (IN) 2010-12-29 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 (2 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-20130116433-A1 PROCESS FOR THE PRODUCTION OF ETRAVIRINE MCM4, EIF2AK2, EIF5B TSHR 3941/4885AR 3397/4885ALDH1A1 1656/4885
US-20110196156-A1 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR TYMP, DPYD, POLR2H TSHR 3752/4885AR 3503/4885ALDH1A1 2799/4885

“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.