SCHEMBL12740682

SCHEMBL12740682

CCOc1ccc(OCC2CCC(c3ccc(C4CCC(CO)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.42
PPARD Q03181 10/20 0.42
PPARA Q07869 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL12740650 0.96 FFAR1 (0.44) FFAR1PPARDPPARAPARP15PARP10
SCHEMBL12735929 0.94 FFAR1 (0.39) FFAR1PPARDPARP15PARP10
SCHEMBL12740674 0.91 FFAR1 (0.41) FFAR1PPARDPPARAPARP15PARP10
SCHEMBL12740683 0.90 SCN9A (0.44) FFAR1PPARDPPARA
SCHEMBL12740681 0.90 FFAR1 (0.46) FFAR1PPARD
SCHEMBL12822621 0.89 FFAR1 (0.43) FFAR1PPARD
SCHEMBL12740676 0.89 FFAR1 (0.40) FFAR1PPARDPPARA
SCHEMBL12823313 0.89 FFAR1 (0.40) FFAR1PPARDPPARA
SCHEMBL14766712 0.89 FFAR1 (0.40) FFAR1PPARDPPARA
SCHEMBL14766561 0.88 FFAR1 (0.43) FFAR1PPARDPPARA

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 FFAR1 247/4885PPARD 3762/4885PPARA 3603/4885

“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.