SCHEMBL12733994

SCHEMBL12733994

COc1ccc(C#CC2CCC(c3ccc(C4CCC(CO)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
AR P10275 1/20 0.32
PTGES O14684 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 1/20 0.31
NTSR1 P30989 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
SCHEMBL12733992 0.90 S1PR1 (0.31) ESR1CYP3A4CYP2C9ESR2
SCHEMBL12733985 0.90 USP30 (0.34) USP30ARPTGES
SCHEMBL12733625 0.87 ESR1 (0.39) USP30HTR2CHTR2AESR1CYP3A4
SCHEMBL12994708 0.86 FPR2 (0.34) USP30PTGESHTR2A
SCHEMBL13586523 0.86 BACE1 (0.32) USP30PTGESHTR2C
SCHEMBL9496362 0.82 AR (0.36) ARPTGESHTR2CHTR2A
SCHEMBL9496349 0.82 AR (0.36) ARPTGESHTR2CHTR2A
SCHEMBL13654007 0.81 USP30 (0.31) USP30
SCHEMBL12733987 0.81 S1PR1 (0.30)
SCHEMBL9497515 0.80 AR (0.35) ARPTGES

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 USP30 3638/4885AR 1101/4885PTGES 4067/4885

“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.