SCHEMBL12733946

SCHEMBL12733946

CCc1ccc(-c2ccc(C3CCC(c4ccc(OC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.37
▸ NAAA Q02083 2/20 0.36
▸ ALOX5AP P20292 5/20 0.36
▸ FEN1 P39748 5/20 0.36
▸ FFAR1 O14842 3/20 0.36
▸ KDM1A O60341 2/20 0.35
▸ KDM1B Q8NB78 2/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP27A1 Q02318 1/20 0.33
▸ CYP24A1 Q07973 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP2E1 P05181 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33

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
SCHEMBL12733954 0.91 ALOX5AP (0.38) USP7NAAAALOX5APFEN1FFAR1
SCHEMBL12716345 0.90 ALOX5AP (0.40) ALOX5APFEN1KDM1AKDM1BCYP1A2
SCHEMBL12716114 0.90 FFAR4 (0.38) ALOX5APFEN1FFAR1GRM2FFAR4
SCHEMBL12733949 0.88 HTR2A (0.43) FFAR1FFAR4
SCHEMBL12739897 0.88 FFAR4 (0.35) USP7NAAAFFAR1FFAR4
SCHEMBL12740354 0.88 NAAA (0.43) USP7NAAAALOX5APFEN1FFAR1
SCHEMBL12736823 0.88 NAAA (0.39) USP7NAAAALOX5APFEN1FFAR1
SCHEMBL12740779 0.87 FFAR1 (0.39) FFAR1
SCHEMBL12736173 0.87 FFAR1 (0.39) USP7FFAR1KDM1A
SCHEMBL12735184 0.87 FFAR4 (0.35) USP7FFAR1FFAR4

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 5 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-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
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 USP7 2523/4885NAAA 3997/4885ALOX5AP 1673/4885

“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.

Send feedback