SCHEMBL12718404

SCHEMBL12718404

CCCc1cnc(-c2ccc(CCc3ccc(-c4ccc(CC)c(F)c4)cc3)c(F)c2F)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ RARB P10826 4/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ THRB P10828 1/20 0.31
▸ MPL P40238 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL12738874 0.90 RARB (0.41) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL12738866 0.90 RARB (0.34) RARBRARARARGCTSLCTSS
SCHEMBL12738881 0.87 NAAA (0.37) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL12735624 0.87 RARB (0.40) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL12738869 0.87 RARB (0.37) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL13586487 0.84 NPC1 (0.33) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL10301940 0.83 RARB (0.45) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL12738805 0.83 RAB9A (0.38) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL12717937 0.82 CTSL (0.37) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL17487482 0.82 CTSL (0.36) RAB9ASMN1; SMN2NPC1TP53HSD17B10

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 6 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
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 RAB9A 972/4885SMN1; SMN2 3745/4885NPC1 1631/4885

“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