SCHEMBL429491

SCHEMBL429491

CCCCOc1ccc(C2CC=C(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
FPR2 P25090 4/20 0.32
ESR1 P03372 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARD Q03181 1/20 0.30
SCN9A Q15858 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
SCHEMBL14922514 0.93 MEN1 (0.32) FPR2MEN1KMT2APPARDSCN9A
SCHEMBL1242654 0.93 MEN1 (0.32) FPR2MEN1KMT2APPARDSCN9A
SCHEMBL15381514 0.92 FPR2 (0.33) FPR2MEN1KMT2APPARDSCN9A
SCHEMBL15381685 0.92 FPR2 (0.33) FPR2MEN1KMT2APPARDSCN9A
SCHEMBL15381584 0.91 FPR2 (0.33) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL15381556 0.91 PDE5A (0.32) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL14922592 0.91 SCN9A (0.34) FPR2MEN1KMT2APPARDSCN9A
SCHEMBL14922600 0.91 SCN9A (0.34) FPR2MEN1KMT2APPARDSCN9A
SCHEMBL14922505 0.90 SCN9A (0.32) FPR2SCN9A
SCHEMBL15381587 0.89 FPR2 (0.32) FPR2SCN9A

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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 NPC1 2953/4885CASP3 244/4885RAB9A 304/4885

“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.