SCHEMBL12737456

SCHEMBL12737456

C=CCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.35
▸ FEN1 P39748 3/20 0.35
▸ FASN P49327 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MOGAT2 Q3SYC2 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 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
SCHEMBL12737457 0.97 ALDH1A1 (0.36) ALOX5APFEN1FASNNR1H4S1PR1
SCHEMBL12742623 0.93 ALOX5AP (0.37) ALOX5APFEN1FASNNR1H4ALDH1A1
SCHEMBL14766704 0.92 ALOX5AP (0.34) ALOX5APFEN1NR1H4S1PR1S1PR3
SCHEMBL12737455 0.92 ALOX5AP (0.36) ALOX5APFEN1FASNNR1H4L3MBTL1
SCHEMBL12823472 0.91 FFAR4 (0.36) ALOX5APFEN1NR1H4S1PR1S1PR3
SCHEMBL12742624 0.91 ALOX5AP (0.36) ALOX5APFEN1ALDH1A1L3MBTL1FFAR4
SCHEMBL12737448 0.90 S1PR1 (0.41) ALOX5APFEN1FASNNR1H4S1PR1
SCHEMBL14766279 0.90 S1PR1 (0.37) ALOX5APFEN1NR1H4S1PR1S1PR3
SCHEMBL12737398 0.89 ALOX5AP (0.39) ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL12742500 0.89 ALOX5AP (0.39) ALOX5APFEN1ALDH1A1L3MBTL1

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 ALOX5AP 1673/4885FEN1 3340/4885FASN 877/4885

“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.

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