SCHEMBL12739775

SCHEMBL12739775

CCCCCCCCOc1ccc(CCC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
CNR1 P21554 5/20 0.39
HTR1A P08908 6/20 0.35
HTR1D P28221 6/20 0.35
HTR1B P28222 6/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR2A P28223 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL12739776 1.00 CNR2 (0.42) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL12739773 1.00 CNR2 (0.42) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL12739770 0.99 CNR2 (0.41) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL12739769 0.97 CNR2 (0.38) CNR2CNR1HTR2ACRBN
SCHEMBL12735046 0.95 CNR2 (0.40) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL12735043 0.95 CNR2 (0.40) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL12735045 0.95 CNR2 (0.40) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL12735035 0.94 CNR2 (0.39) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL12735033 0.92 CNR2 (0.36) CNR2CNR1CRBN
SCHEMBL12739768 0.88 HTR2A (0.34) HTR2AMEN1KMT2A

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-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-05-15 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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 (2 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 CNR2 686/4885CNR1 582/4885HTR1A 484/4885
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 CNR2 505/4885CNR1 466/4885HTR1A 767/4885

“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.