SCHEMBL12740650

SCHEMBL12740650

CCOc1ccc(OCC2CCC(c3ccc(C4CCC(CO)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.44
PPARD Q03181 8/20 0.44
PARP10 Q53GL7 2/20 0.40
PARP15 Q460N3 1/20 0.40
PPARA Q07869 1/20 0.39

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
SCHEMBL12740682 0.96 FFAR1 (0.42) FFAR1PPARDPARP10PARP15PPARA
SCHEMBL12740644 0.91 FFAR1 (0.43) FFAR1PPARDPARP10PARP15PPARA
SCHEMBL12735929 0.90 FFAR1 (0.39) FFAR1PPARDPARP10PARP15
SCHEMBL12740651 0.90 FFAR1 (0.42) FFAR1PPARDPARP10PARP15PPARA
SCHEMBL12740649 0.90 FFAR1 (0.46) FFAR1PPARDPARP10PARP15PPARA
SCHEMBL12823530 0.89 FFAR1 (0.45) FFAR1PPARDPARP10PARP15PPARA
SCHEMBL13586387 0.89 FFAR1 (0.42) FFAR1PPARDPARP10PARP15PPARA
SCHEMBL12740645 0.89 FFAR1 (0.42) FFAR1PPARDPARP10PARP15PPARA
SCHEMBL14766700 0.89 FFAR1 (0.42) FFAR1PPARDPARP10PARP15PPARA
SCHEMBL10303245 0.88 FFAR1 (0.43) FFAR1PPARDPARP10PARP15

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 3762/4885PARP10 3604/4885

“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.