SCHEMBL729783

SCHEMBL729783

CCCCCC1CCC(c2ccc(C3CCC(C4CCC(OCCC)CC4)CC3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.36
OPRL1 P41146 12/20 0.35
HCRTR2 O43614 1/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL10043093 0.95 OPRL1 (0.35) GPR119OPRL1HCRTR2GAAMAPT
SCHEMBL10043513 0.91 OPRL1 (0.37) GPR119OPRL1HCRTR2GAAMAPT
SCHEMBL10043470 0.90 OPRL1 (0.36) GPR119OPRL1CYP2C9MAPT
SCHEMBL10043439 0.90 OPRL1 (0.36) GPR119OPRL1CYP2C9MAPT
SCHEMBL10043090 0.90 OPRL1 (0.41) OPRL1CYP2C9GAAMAPT
SCHEMBL19722374 0.89 OPRL1 (0.38) GPR119OPRL1CYP2C9GAAMAPT
SCHEMBL21321667 0.89 OPRL1 (0.38) GPR119OPRL1CYP2C9GAAMAPT
SCHEMBL21321888 0.89 OPRL1 (0.38) GPR119OPRL1CYP2C9GAAMAPT
SCHEMBL19722082 0.89 OPRL1 (0.38) GPR119OPRL1CYP2C9GAAMAPT
SCHEMBL10043092 0.89 OPRL1 (0.41) OPRL1CYP2C9GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279990-B1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
EP-2279990-A1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-02-02 EP 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-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ROCK1, ROCK2, LEF1 GPR119 2229/4885OPRL1 3448/4885HCRTR2 1004/4885

“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.