SCHEMBL20102582

SCHEMBL20102582

CCCCCc1cc2c(c(F)c1F)-c1c-2ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)c1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.42
MPL P40238 5/20 0.38
TLR8 Q9NR97 1/20 0.37
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
HSD11B1 P28845 2/20 0.34
GCGR P47871 1/20 0.33
GPR3 P46089 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SPHK1 Q9NYA1 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
SCHEMBL20102494 0.92 RARB (0.46) RARBMPLRARARARGHSD11B1
SCHEMBL20102499 0.86 RARB (0.38) RARBTLR8RARARARGGCGR
SCHEMBL20102500 0.85 CTSL (0.40) RARBTLR8GCGRGPR3TSHR
SCHEMBL16229872 0.84 RARB (0.46) RARBMPLRARARARGHSD11B1
SCHEMBL9493798 0.83 RARB (0.45) RARBMPLRARARARGHSD11B1
SCHEMBL9485527 0.83 RARB (0.45) RARBMPLRARARARGHSD11B1
SCHEMBL20117903 0.82 MPL (0.36) RARBMPLHSD17B10
SCHEMBL9486110 0.81 RARB (0.47) RARBRARARARGHSD11B1TSHR
SCHEMBL2208150 0.81 RARB (0.47) RARBMPLRARARARGHSD11B1
SCHEMBL12740085 0.81 RARB (0.44) RARBMPLRARARARGHSD11B1

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 1858/4885MPL 4474/4885TLR8 4367/4885

“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.