SCHEMBL20102435

SCHEMBL20102435

CCCCCc1ccc(-c2cc3c(c(F)c2F)-c2c-3ccc(CCC)c2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.45
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
HSD17B10 Q99714 3/20 0.37
TSHR P16473 1/20 0.37
MPL P40238 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MTOR P42345 1/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL20102439 0.86 TYR (0.35) RARBRARARARGTSHRMEN1
SCHEMBL20102542 0.86 RARB (0.43) RARBRARARARGPTGS2HTR2A
SCHEMBL20102494 0.86 RARB (0.46) RARBRARARARGHSD17B10TSHR
SCHEMBL20102529 0.86 RARB (0.38) RARBRARARARGHSD17B10ALDH1A1
SCHEMBL20102472 0.86 RARB (0.38) RARBRARARARGHSD17B10ALDH1A1
SCHEMBL16229873 0.85 RARB (0.49) RARBRARARARGHSD17B10TSHR
SCHEMBL20102443 0.84 CTSL (0.33) RARBMPL
SCHEMBL20102440 0.84 CTSL (0.40) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL9496950 0.84 RARB (0.48) RARBRARARARGHSD17B10TSHR
SCHEMBL9486012 0.84 RARB (0.48) RARBRARARARGHSD17B10TSHR

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 1858/4885RARA 1388/4885RARG 2856/4885

“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.