SCHEMBL12738875

SCHEMBL12738875

CCc1ccc(-c2ccc(CCc3ccc(-c4ccc(OC)c(F)c4)cc3)c(F)c2F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.44
▸ GRM2 Q14416 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP2 O95551 1/20 0.36
▸ NAAA Q02083 4/20 0.36
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL12718499 0.92 NAAA (0.37) CYP17A1GRM2NPC1RAB9ASMN1; SMN2
SCHEMBL12738867 0.86 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL12735633 0.86 CYP17A1 (0.47) CYP17A1NPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL12738880 0.82 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1NAAA
SCHEMBL10301943 0.82 CYP17A1 (0.52) CYP17A1PDGFRBPDGFRANPC1SMN1; SMN2
SCHEMBL12823663 0.81 CYP17A1 (0.46) CYP17A1GRM2PDGFRBPDGFRATDP2
SCHEMBL12738876 0.81 CYP17A1 (0.42) CYP17A1GRM2PDGFRBPDGFRARAB9A
SCHEMBL12822179 0.81 NPC1 (0.33) GRM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12738884 0.81 NAAA (0.35) CYP17A1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10303004 0.80 CYP17A1 (0.55) CYP17A1PDGFRBPDGFRATDP2NAAA

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 CYP17A1 1283/4885GRM2 2666/4885PDGFRB 2285/4885

“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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