SCHEMBL730097

SCHEMBL730097

CCOC1CCC(c2ccc(C3(O)CCC(C4CCC5(CC4)OCCO5)CC3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.33
TRPV3 Q8NET8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IDH1 O75874 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
SCHEMBL730038 0.84 OPRL1 (0.36) HCRTR2TRPV3KDM4EHSD17B10IDH1
SCHEMBL742207 0.83 CYP3A4 (0.35) TRPV3
SCHEMBL16325784 0.80 ESR2 (0.35) TRPV3
SCHEMBL12918523 0.78 ESR2 (0.37) TRPV3
SCHEMBL729408 0.78
SCHEMBL1254835 0.77 CYP3A4 (0.35)
SCHEMBL12621563 0.76 CYP3A4 (0.36)
SCHEMBL13604928 0.75
SCHEMBL9481353 0.73 NPC1 (0.37) HCRTR2TRPV3
SCHEMBL7780450 0.73 NPC1 (0.37) HCRTR2TRPV3

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 HCRTR2 1004/4885TRPV3 1217/4885KDM4E 1970/4885

“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.