SCHEMBL17147392

SCHEMBL17147392

Cc1cc(/C=C/C(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.41
RAPGEF4 Q8WZA2 2/20 0.36
AHR P35869 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
NOTUM Q6P988 1/20 0.33
HTT P42858 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31

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
SCHEMBL17147517 0.88 NFE2L2 (0.38) NFE2L2RAPGEF4AHRPTGS1
SCHEMBL21399871 0.81 NFE2L2 (0.43) NFE2L2RAPGEF4AHRPTGS1PTGES2
SCHEMBL19166263 0.81 NFE2L2 (0.43) NFE2L2RAPGEF4AHRPTGS1PTGES2
SCHEMBL13874967 0.79 NFE2L2 (0.59) NFE2L2RAPGEF4AHRPTGS1PTGES2
SCHEMBL10316303 0.79 TP53 (0.42) NFE2L2RAPGEF4NOTUMHTTPGK1
SCHEMBL25870288 0.76 GABBR2 (0.42) NFE2L2RAPGEF4AHRPTGS1NOTUM
SCHEMBL18195370 0.75 NFE2L2 (0.39) NFE2L2RAPGEF4AHRPTGS1NOTUM
SCHEMBL2474610 0.75 NFE2L2 (0.41) NFE2L2RAPGEF4NOTUMHTTPGK1
SCHEMBL13990553 0.74 NFE2L2 (0.62) NFE2L2PTGES2HTT
SCHEMBL15211872 0.74 NFE2L2 (0.38) NFE2L2RAPGEF4AHRPTGS1PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 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 (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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 NFE2L2 2507/4885RAPGEF4 2829/4885AHR 2662/4885
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 NFE2L2 956/4885RAPGEF4 3561/4885AHR 1616/4885

“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.