SCHEMBL20102406

SCHEMBL20102406

CCCCCOc1ccc2c(c1F)-c1c-2cc(CCC)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.37
THRA P10827 3/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
HTT P42858 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
RAD52 P43351 1/20 0.34
S1PR1 P21453 1/20 0.33
PTPN11 Q06124 1/20 0.33
CNR2 P34972 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
SCHEMBL20102404 0.87 CTSL (0.39) CTSLCTSSCTSKMAPTALDH1A1
SCHEMBL20102405 0.86 FGFR2 (0.34) THRBCTSLCTSSCTSKMAPT
SCHEMBL20102408 0.83 THRB (0.39) THRBTHRAMAPTNPSR1ALDH1A1
SCHEMBL20102390 0.83 L3MBTL1 (0.42) THRBTHRAMAPTNPSR1ALDH1A1
SCHEMBL20102516 0.81 RIPK1 (0.33) CTSLCTSSCTSK
SCHEMBL20102399 0.80 TYR (0.41) CTSLCTSSCTSKMAPTHTT
SCHEMBL20102417 0.80 THRB (0.38) THRBTHRAMAPTNPSR1ALDH1A1
SCHEMBL20102526 0.79 CYP19A1 (0.33) CNR2HPGD
SCHEMBL20102585 0.79 RIPK1 (0.31)
SCHEMBL20102400 0.79 TYR (0.43) CTSLCTSSCTSKMAPTHTT

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 THRB 3964/4885THRA 3521/4885CTSL 2729/4885

“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.