SCHEMBL20102497

SCHEMBL20102497

CCCCCc1ccc(-c2ccc3c(c2F)-c2c-3cc(C)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.48
HSD11B1 P28845 3/20 0.42
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
MPL P40238 4/20 0.40
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL20117903 0.88 MPL (0.36) RARBMPLHSD17B10ALDH1A1MEN1
SCHEMBL20102494 0.85 RARB (0.46) RARBHSD11B1RARARARGMPL
SCHEMBL20102594 0.84 RARB (0.38) RARBHSD11B1RARARARGMPL
SCHEMBL16939662 0.83 RARB (0.51) RARBHSD11B1RARARARGHSD17B10
SCHEMBL18306230 0.81 RARB (0.50) RARBHSD11B1RARARARGMPL
SCHEMBL20102522 0.81 SMPD1 (0.41) RARBHSD17B10ALDH1A1MEN1MAPT
SCHEMBL9494022 0.81 RARB (0.56) RARBHSD11B1RARARARGHSD17B10
SCHEMBL20102582 0.81 RARB (0.42) RARBHSD11B1RARARARGMPL
SCHEMBL9319299 0.80 RARB (0.48) RARBHSD11B1RARARARGHSD17B10
SCHEMBL25953889 0.80 RARB (0.52) RARBHSD11B1RARARARGHSD17B10

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 1858/4885HSD11B1 1258/4885RARA 1388/4885

“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.