SCHEMBL12739749

SCHEMBL12739749

CCCC1CCC(c2ccc(C3CCC(CCc4ccc(CC)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
OPRL1 P41146 14/20 0.34
CYP2C9 P11712 1/20 0.33

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
SCHEMBL10302126 0.93 HTR2A (0.35) HTR2AHTR2COPRL1
SCHEMBL12734990 0.93 OPRL1 (0.38) OPRL1CYP2C9
SCHEMBL12739743 0.92 HTR2A (0.35) HTR2AHTR2COPRL1
SCHEMBL10302127 0.91 HTR2A (0.34) HTR2AHTR2COPRL1
SCHEMBL12739751 0.91 S1PR1 (0.36) HTR2AHTR2COPRL1
SCHEMBL12739701 0.90 CYP2C9 (0.35) HTR2AHTR2COPRL1CYP2C9
SCHEMBL12739752 0.90 S1PR1 (0.39) HTR2AHTR2COPRL1
SCHEMBL12994355 0.89 HTR2A (0.34) HTR2AHTR2COPRL1
SCHEMBL10302129 0.88 HTR2A (0.37) HTR2AHTR2COPRL1
SCHEMBL12739702 0.88 S1PR1 (0.34) HTR2AHTR2COPRL1CYP2C9

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 6 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-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
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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 HTR2A 841/4885HTR2C 253/4885OPRL1 2073/4885
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 HTR2A 685/4885HTR2C 633/4885OPRL1 545/4885

“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.