SCHEMBL10303348

SCHEMBL10303348

Cc1ccc(-c2ccc(-c3cccc(F)c3)cn2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ WNT3A P56704 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL10303264 0.80 CNR2 (0.44) ALOX5APFEN1IDO1PGR
SCHEMBL10303392 0.78 FEN1 (0.45) ALOX5APFEN1PDK2NPC1CASP3
SCHEMBL17359276 0.77 FEN1 (0.41) ALOX5APFEN1
SCHEMBL4402602 0.75 CCR1 (0.54) ALOX5APFEN1NPC1NFKB1RAB9A
SCHEMBL10301561 0.73 TNKS2 (0.45) TAAR1ESR2TNKS2PARP10PARP11
SCHEMBL10165304 0.73 TAAR1 (0.50) PIM1TAAR1ESR2TNKS2PDGFRB
SCHEMBL12203428 0.71 HPGDS (0.54) PIM1HSD17B1HSD17B2HPGDSWNT3A
SCHEMBL10301626 0.71 KDM4E (0.40) ALOX5APFEN1MAPTRAB9A
SCHEMBL257773 0.70 TNKS2 (0.56) HSD17B1HSD17B2TAAR1ESR2TNKS2
SCHEMBL18970438 0.70 TAAR1 (0.55) HSD17B1HSD17B2TAAR1ESR2TNKS2

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 PIM1 2410/4885HSD17B1 1384/4885HSD17B2 1869/4885

“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