SCHEMBL7019012

SCHEMBL7019012

CCCC=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
AHR P35869 1/20 0.46
PTGS1 P23219 1/20 0.46
KCNH2 Q12809 2/20 0.45
FBP1 P09467 1/20 0.44
NQO2 P16083 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HDAC3 O15379 1/20 0.43
ADAM17 P78536 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL22483309 1.00 CYP1A2 (0.47) CYP1A2AHRPTGS1KCNH2FBP1
SCHEMBL7240544 0.92 KCNH2 (0.46) CYP1A2AHRPTGS1KCNH2MAOB
SCHEMBL7240545 0.92 KCNH2 (0.46) CYP1A2AHRPTGS1KCNH2MAOB
SCHEMBL7232317 0.92 KCNH2 (0.46) CYP1A2AHRPTGS1KCNH2FBP1
SCHEMBL7232320 0.92 KCNH2 (0.46) CYP1A2AHRPTGS1KCNH2FBP1
SCHEMBL7240037 0.90 CHRNB2 (0.48) CYP1A2AHRPTGS1KCNH2CHRNB2
SCHEMBL8618869 0.90 CHRNB2 (0.42) CYP1A2AHRPTGS1KCNH2FBP1
SCHEMBL8618872 0.90 CHRNB2 (0.42) CYP1A2AHRPTGS1KCNH2FBP1
SCHEMBL7240033 0.90 CHRNB2 (0.48) CYP1A2AHRPTGS1KCNH2CHRNB2
SCHEMBL256696 0.84 CYP1A2 (0.50) CYP1A2AHRPTGS1KCNH2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276087-A1 BETA-ELEMENE VINYLATION COUPLED DERIVATIVE, AND PREPARATION THEREOF AND USE THEREOF IN PREPARATION OF ANTITUMOR DRUG Hangzhou Normal University (CN) 2023-11-15 EP disclosed
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA NV (DE) 2017-10-26 US disclosed
US-9724322-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-08 US disclosed
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2016-07-14 US disclosed
US-8518997-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-27 US disclosed
US-20120122988-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-05-17 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 (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-20120122988-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CYP1A2 2224/4885AHR 1032/4885PTGS1 910/4885
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CYP1A2 2224/4885AHR 1032/4885PTGS1 910/4885
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CYP1A2 2224/4885AHR 1032/4885PTGS1 910/4885
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD CYP1A2 2224/4885AHR 1032/4885PTGS1 910/4885

“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.