SCHEMBL20102572

SCHEMBL20102572

CCCCCc1ccc(C#Cc2cc3c(c(F)c2F)-c2c-3ccc(C#Cc3ccc(CCC)cc3F)c2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
GPR3 P46089 1/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
HTR2A P28223 1/20 0.33
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
ESR1 P03372 2/20 0.30
ADRA2A P08913 2/20 0.30
ADORA3 P0DMS8 2/20 0.30
TACR2 P21452 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL20102473 0.91 GPR3 (0.35) RARBGPR3FFAR1FFAR4RARA
SCHEMBL20111272 0.88 FFAR1 (0.39) FFAR1FFAR4CNR1CNR2
SCHEMBL20102594 0.80 RARB (0.38) RARBGPR3FFAR1FFAR4RARA
SCHEMBL20102532 0.78 HSD17B10 (0.39) RARBGPR3FFAR1FFAR4RARA
SCHEMBL7861584 0.77 FFAR1 (0.49) RARBGPR3FFAR1FFAR4RARA
SCHEMBL7858553 0.77 FFAR1 (0.49) RARBGPR3FFAR1FFAR4RARA
SCHEMBL7861630 0.76 FFAR1 (0.48) RARBGPR3FFAR1FFAR4RARA
SCHEMBL7859820 0.76 FFAR1 (0.48) RARBGPR3FFAR1FFAR4RARA
SCHEMBL20102550 0.76 RARB (0.38) RARBFFAR4RARARARGHSD17B10
SCHEMBL9417587 0.76 FFAR1 (0.48) RARBGPR3FFAR1FFAR4RARA

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 1 patent. 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

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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S RARB 1858/4885GPR3 983/4885FFAR1 536/4885

“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.