SCHEMBL17021045

SCHEMBL17021045

CCOc1ccc(C2CCC(CC/C=C\CCF)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.32
OPRL1 P41146 4/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KDM1A O60341 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL17016772 1.00 HPGD (0.32) HPGDOPRL1HTR1ASLC6A2SLC6A4
SCHEMBL17016931 0.95 FPR2 (0.32) HPGDCNR1CNR2
SCHEMBL17021101 0.95 FPR2 (0.32) HPGDCNR1CNR2
SCHEMBL17016752 0.93 HPGD (0.31) HPGDOPRL1
SCHEMBL17021074 0.93 HPGD (0.32) HPGDOPRL1HTR1ASLC6A2SLC6A4
SCHEMBL17016774 0.93 HPGD (0.32) HPGDOPRL1HTR1ASLC6A2SLC6A4
SCHEMBL11940767 0.89 OPRL1 (0.32) HPGDOPRL1KDM1ACNR1CNR2
SCHEMBL15803731 0.87 HPGD (0.35) HPGDOPRL1KDM1ACNR1CNR2
SCHEMBL13322092 0.86 OPRL1 (0.30) OPRL1
SCHEMBL3911928 0.85 OPRL1 (0.32) HPGDOPRL1KDM1ACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9404040-B2 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-08-02 US disclosed
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-20 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-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device PYM1, CXCR1, LEO1 HPGD 4702/4885OPRL1 1404/4885HTR1A 502/4885

“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.