SCHEMBL20102500

SCHEMBL20102500

CCCCCc1ccc(-c2ccc3c(c2F)-c2c-3cc(CCC)c(F)c2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
TYR P14679 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
ALOX5 P09917 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ELANE P08246 4/20 0.33
GCGR P47871 3/20 0.33
CTSG P08311 2/20 0.33
TLR8 Q9NR97 1/20 0.32
GPR3 P46089 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL20102399 0.94 TYR (0.41) CTSLCTSSCTSKTYRCYP3A4
SCHEMBL20102400 0.93 TYR (0.43) CTSLCTSSCTSKTYRCYP3A4
SCHEMBL20102440 0.91 CTSL (0.40) CTSLCTSSCTSKTYRCYP3A4
SCHEMBL20102401 0.90 TYR (0.41) CTSLCTSSCTSKTYRCYP3A4
SCHEMBL20102582 0.85 RARB (0.42) TSHRGCGRTLR8GPR3HSD17B10
SCHEMBL20102398 0.85 TYR (0.41) TYRCYP3A4MAPTMEN1TP53
SCHEMBL20102529 0.85 RARB (0.38) CYP3A4TP53GPR3KDM4EALDH1A1
SCHEMBL20102472 0.85 RARB (0.38) CYP3A4TP53GPR3KDM4EALDH1A1
SCHEMBL20102499 0.84 RARB (0.38) TYRCYP3A4MAPTMEN1TP53
SCHEMBL20111585 0.82 CTSL (0.36) CTSLCTSSCTSK

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 CTSL 2729/4885CTSS 2436/4885CTSK 2311/4885

“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.