SCHEMBL12733992

SCHEMBL12733992

CCOc1ccc(C#CC2CCC(c3ccc(C4CCC(CO)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.31
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ESR2 Q92731 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
SCHEMBL12733987 0.91 S1PR1 (0.30) S1PR1
SCHEMBL12733994 0.90 USP30 (0.36) ESR1CYP3A4CYP2C9ESR2
SCHEMBL12733988 0.89 S1PR1 (0.31) S1PR1CYP2C9
SCHEMBL10302721 0.88 PTGDR2 (0.32) S1PR1
SCHEMBL12994708 0.87 FPR2 (0.34)
SCHEMBL12733996 0.87 S1PR1 (0.31) S1PR1
SCHEMBL13586526 0.87 S1PR1 (0.30) S1PR1
SCHEMBL10091342 0.87 ESR1 (0.38) ESR1CYP3A4CYP2C9ESR2
SCHEMBL12733627 0.87 ESR1 (0.38) ESR1CYP3A4CYP2C9ESR2
SCHEMBL10302722 0.86 S1PR1 (0.30) S1PR1

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-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 (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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 S1PR1 1190/4885ESR1 1665/4885CYP3A4 2310/4885

“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.