SCHEMBL20102499

SCHEMBL20102499

CCCCCc1cc2c(c(F)c1F)-c1c-2ccc(-c2ccc(CCC)cc2F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.38
GPR3 P46089 1/20 0.36
TLR8 Q9NR97 6/20 0.36
GCGR P47871 1/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2A P28223 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
RARA P10276 1/20 0.32
RARG P13631 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
SCHEMBL20102582 0.86 RARB (0.42) RARBGPR3TLR8GCGRTSHR
SCHEMBL20102500 0.84 CTSL (0.40) RARBGPR3TLR8GCGRMEN1
SCHEMBL20102399 0.81 TYR (0.41) RARBGPR3TLR8GCGRMEN1
SCHEMBL20111243 0.81 CNR1 (0.40) RARBTP53ALOX5CNR1CNR2
SCHEMBL20102494 0.81 RARB (0.46) RARBMEN1TP53CYP3A4MAPT
SCHEMBL20102400 0.80 TYR (0.43) RARBGPR3MEN1TP53CYP3A4
SCHEMBL20102401 0.79 TYR (0.41) RARBGPR3GCGRMEN1TP53
SCHEMBL20102398 0.78 TYR (0.41) RARBGPR3MEN1TP53CYP3A4
SCHEMBL20102472 0.78 RARB (0.38) RARBGPR3TP53CYP3A4HTR2A
SCHEMBL20102529 0.78 RARB (0.38) RARBGPR3TP53CYP3A4HTR2A

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 1858/4885GPR3 983/4885TLR8 4367/4885

“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.