SCHEMBL20102473

SCHEMBL20102473

CCCCCc1ccc(C#Cc2cc3c(c(F)c2F)-c2c-3ccc(CCC)c2F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
RARB P10826 3/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
S1PR1 P21453 1/20 0.33
HTR2A P28223 1/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
TLR8 Q9NR97 2/20 0.30
SPHK2 Q9NRA0 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
SCHEMBL20102572 0.91 RARB (0.37) GPR3RARBFFAR1FFAR4S1PR1
SCHEMBL20111480 0.81 GRM5 (0.36) FFAR1FFAR4
SCHEMBL20111272 0.80 FFAR1 (0.39) FFAR1FFAR4
SCHEMBL10302770 0.78 RARB (0.46) GPR3RARBFFAR1FFAR4S1PR1
SCHEMBL20102542 0.78 RARB (0.43) GPR3RARBS1PR1HTR2ARARA
SCHEMBL20102472 0.77 RARB (0.38) GPR3RARBHTR2ARARARARG
SCHEMBL20102529 0.77 RARB (0.38) GPR3RARBHTR2ARARARARG
SCHEMBL20102532 0.76 HSD17B10 (0.39) GPR3RARBFFAR1FFAR4HTR2A
SCHEMBL20102435 0.76 RARB (0.45) RARBHTR2ARARARARG
SCHEMBL20102594 0.76 RARB (0.38) GPR3RARBFFAR1FFAR4RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US disclosed
US-20160023999-A1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2016-01-28 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S GPR3 983/4885RARB 1858/4885FFAR1 536/4885
US-20160023999-A1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME SCN1A, GABARAPL1, NAA10 GPR3 925/4885RARB 1945/4885FFAR1 699/4885

“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.