SCHEMBL20102398

SCHEMBL20102398

CCCCCc1cc2c(c(F)c1F)-c1c-2ccc(CC)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 5/20 0.37
CTSG P08311 3/20 0.37
RARB P10826 1/20 0.34
GPR3 P46089 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL20102401 0.92 TYR (0.41) TYRTSHRMEN1KMT2ATP53
SCHEMBL20102399 0.91 TYR (0.41) TYRTSHRMEN1KMT2ATP53
SCHEMBL20102400 0.90 TYR (0.43) TYRTSHRMEN1KMT2ATP53
SCHEMBL20102397 0.89 CTSL (0.39) MAPTELANECTSG
SCHEMBL20102500 0.85 CTSL (0.40) TYRTSHRMEN1KMT2ATP53
SCHEMBL20102410 0.84 TYR (0.35) TYRTSHRMEN1KMT2ATP53
SCHEMBL20102440 0.82 CTSL (0.40) TYRTSHRMEN1KMT2ATP53
SCHEMBL20102529 0.82 RARB (0.38) TP53CYP3A4RARBGPR3LIPG
SCHEMBL20102472 0.82 RARB (0.38) TP53CYP3A4RARBGPR3LIPG
SCHEMBL20102405 0.80 FGFR2 (0.34) TYRTSHRMEN1KMT2ATP53

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 TYR 714/4885TSHR 3697/4885MEN1 2571/4885

“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.