SCHEMBL13614304

SCHEMBL13614304

COc1ccc(-c2ccc(Br)c(C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
DYRK1A Q13627 2/20 0.50
ABL1 P00519 1/20 0.48
ABCB1 P08183 1/20 0.48
BCR P11274 1/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL15525744 0.84 ABL1 (0.54) MAPTNPC1RAB9AABL1ABCB1
SCHEMBL30294336 0.83 MAPT (0.54) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL838442 0.83 MAPT (0.54) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL4303038 0.82 ALDH1A1 (0.55) MAPTNPC1RAB9ATP53ESR2
SCHEMBL2097981 0.81 DYRK1A (0.55) MAPTNPC1RAB9ADYRK1AABL1
SCHEMBL1257369 0.81 MAPT (0.53) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL12440897 0.79 ALDH1A1 (0.46) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL876226 0.78 CYP11B1 (0.49) NPC1RAB9ADYRK1AABL1ABCB1
SCHEMBL22609962 0.78 KIF11 (0.44) MAPTMAPK1CA12CA9
SCHEMBL15342387 0.78 DYRK1A (0.52) MAPTNPC1RAB9ADYRK1AABL1

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-7618690-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2009-11-17 US disclosed
US-7618690-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2009-11-17 US disclosed
US-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS COMPANY LIMITED (JP) 2008-08-28 US disclosed
US-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS COMPANY LIMITED (JP) 2008-08-28 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-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT CCNE2, CCNE1, CCNL2 MAPT 952/4885NPC1 3578/4885RAB9A 1306/4885

“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.