SCHEMBL20102408

SCHEMBL20102408

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.39
THRA P10827 5/20 0.39
ESR1 P03372 3/20 0.39
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHUK O15111 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
BLK P51451 1/20 0.35

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
SCHEMBL20102409 0.96 ESR1 (0.38) THRBTHRAESR1ALDH1A1GAA
SCHEMBL20102417 0.90 THRB (0.38) THRBTHRAESR1ALDH1A1GAA
SCHEMBL20102413 0.89 THRB (0.39) THRBTHRAESR1ALDH1A1GAA
SCHEMBL20102390 0.86 L3MBTL1 (0.42) THRBTHRAALDH1A1GAAMAPT
SCHEMBL20102414 0.85 FGFR2 (0.39) ESR1ALDH1A1GAAMAPTHPGD
SCHEMBL20102522 0.83 SMPD1 (0.41) ESR1ALDH1A1MAPTNPSR1SMPD1
SCHEMBL20102406 0.83 THRB (0.37) THRBTHRAALDH1A1GAAMAPT
SCHEMBL20102508 0.82 TLR8 (0.33) THRBTHRAESR1
SCHEMBL20102517 0.81 GRM2 (0.32) HPGD
SCHEMBL16852417 0.79 L3MBTL1 (0.39) THRBTHRAESR1ALDH1A1GAA

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 3521/4885ESR1 1005/4885

“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.