SCHEMBL12734701

SCHEMBL12734701

CCOc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(CC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.40
FFAR1 O14842 3/20 0.38
PPARD Q03181 3/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
NAAA Q02083 1/20 0.35
CYP17A1 P05093 1/20 0.34
TNFRSF1A P19438 1/20 0.34
LTB4R Q15722 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ERN1 O75460 1/20 0.33
MAOB P27338 1/20 0.33
PTGS2 P35354 2/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM1A O60341 2/20 0.32
S1PR1 P21453 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL12734711 0.93 FFAR1 (0.40) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12734703 0.92 TUBB1 (0.38) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12739509 0.91 TUBB1 (0.38) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12734586 0.91 TUBB1 (0.38) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL14765709 0.90 FFAR1 (0.43) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12734707 0.90 TUBB1 (0.40) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12734712 0.90 NFE2L2 (0.41) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12734696 0.90 TUBB1 (0.45) TUBB1NAAACYP17A1ERN1PTGS2
SCHEMBL12734706 0.89 TUBB1 (0.40) TUBB1FFAR1PPARDPPARGPPARA
SCHEMBL12734704 0.89 RARB (0.41) TUBB1FFAR1PPARDPPARGPPARA

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 3 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

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 TUBB1 664/4885FFAR1 247/4885PPARD 3762/4885

“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.