SCHEMBL8932601

SCHEMBL8932601

CCCC1CCC(O)(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
NAAA Q02083 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TDP2 O95551 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
S1PR1 P21453 3/20 0.30
FPR2 P25090 1/20 0.30
KDM1A O60341 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
S1PR3 Q99500 1/20 0.30
FGFR2 P21802 2/20 0.30
FGFR1 P11362 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 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
SCHEMBL8932635 0.93 FFAR4 (0.32) FFAR4NAAARXRARXRBRXRG
SCHEMBL10163688 0.82 OPRM1 (0.31) OPRM1OPRK1OPRL1
SCHEMBL7850628 0.82 TLR9 (0.36) FFAR4CYP3A4CYP11B1CYP11B2S1PR1
SCHEMBL8932660 0.81 FPR2 (0.31) FFAR4NAAAFPR2
SCHEMBL8932615 0.79 OPRL1 (0.36) FFAR4NAAAS1PR1FPR2OPRL1
SCHEMBL8932623 0.78 APP (0.35) FFAR4CYP3A4OPRM1OPRK1OPRL1
SCHEMBL13378062 0.78 OPRM1 (0.33) OPRM1OPRK1OPRL1
SCHEMBL2892563 0.78 OPRM1 (0.33) OPRM1OPRK1OPRL1
SCHEMBL2892557 0.78 OPRM1 (0.33) OPRM1OPRK1OPRL1
SCHEMBL8960361 0.77 OPRL1 (0.34) FFAR4NAAAS1PR1FPR2OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 FFAR4 342/4885NAAA 4128/4885RXRA 1795/4885

“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.