SCHEMBL20102485

SCHEMBL20102485

CCCCCc1cc2c(c(F)c1F)-c1c-2ccc(C2CCC(CCC)CC2)c1F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRL1 P41146 7/20 0.32
CYP2C9 P11712 1/20 0.31
ELANE P08246 2/20 0.31
CTSG P08311 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20102569 0.93 SPHK1 (0.36)
SCHEMBL20102484 0.92 MEN1 (0.32) MEN1MAPK1KMT2AOPRL1CYP2C9
SCHEMBL20102478 0.91 GAA (0.32) MEN1KMT2AOPRL1MAPT
SCHEMBL20102487 0.91
SCHEMBL20102476 0.88 CYP2C9 (0.36) MEN1MAPK1KMT2AOPRL1CYP2C9
SCHEMBL20102575 0.88 GAA (0.31) OPRL1MAPT
SCHEMBL20102600 0.88 GAA (0.31) OPRL1MAPT
SCHEMBL20102601 0.87 GAA (0.30) MAPT
SCHEMBL20102415 0.86 MEN1 (0.32) MEN1MAPK1KMT2ACYP2C9ELANE
SCHEMBL20102554 0.86 MEN1 (0.33) MEN1MAPK1KMT2AOPRL1CYP2C9

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 MEN1 2571/4885MAPK1 1115/4885KMT2A 2759/4885

“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.