SCHEMBL12718705

SCHEMBL12718705

COc1ccc(-c2ccc(CCc3ccc(C4=CCC(OC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.41
CYP17A1 P05093 1/20 0.39
TDP2 O95551 1/20 0.36
FAAH O00519 1/20 0.35
GRM2 Q14416 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSK P43235 1/20 0.33
KCNH2 Q12809 1/20 0.33
DRD4 P21917 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
TMEM97 Q5BJF2 1/20 0.32
PTGS2 P35354 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
SCHEMBL12823641 0.92 NAAA (0.39) NAAACYP17A1GRM2
SCHEMBL12717803 0.89 CCNT1 (0.33) NAAAGRM2
SCHEMBL12738699 0.88 NAAA (0.39) NAAACYP17A1TDP2FAAHGRM2
SCHEMBL12738710 0.87 NAAA (0.38) NAAACYP17A1TDP2FAAHPTGS2
SCHEMBL12718096 0.87 NAAA (0.38) NAAACYP17A1TDP2FAAHGRM2
SCHEMBL13586153 0.86 NAAA (0.33) NAAAGRM2
SCHEMBL12718716 0.85 BRD4 (0.31) GRM2
SCHEMBL12718735 0.85 CYP24A1 (0.36) NAAAGRM2CYP2C19
SCHEMBL14766198 0.84 NAAA (0.41) NAAA
SCHEMBL12738700 0.84 NAAA (0.36) NAAACYP17A1TDP2FAAH

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 4 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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 EP 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 NAAA 3997/4885CYP17A1 1283/4885TDP2 3499/4885

“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.