SCHEMBL17547997

SCHEMBL17547997

Cc1ccc(COc2cc(F)c(C)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.53
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAOA P21397 2/20 0.47
ACHE P22303 1/20 0.47
PARP10 Q53GL7 1/20 0.46
GRM5 P41594 1/20 0.46
CASP3 P42574 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
AGXT P21549 2/20 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
SCHEMBL17548026 0.95 MAOB (0.49) MAOBNPC1RAB9AMAOAACHE
SCHEMBL14293620 0.85 MAPT (0.56) MAOBNPC1RAB9AMAOAACHE
SCHEMBL19621376 0.84 MAOB (0.49) MAOBNPC1RAB9AMAOAACHE
SCHEMBL13873571 0.84 MAOB (0.69) MAOBNPC1RAB9AMAOAACHE
SCHEMBL17548012 0.82 MRGPRX4 (0.56) MAOBNPC1RAB9AMAOAACHE
SCHEMBL27049137 0.81 MAOB (0.40) MAOBNPC1RAB9A
SCHEMBL15781850 0.80 MAOB (0.59) MAOBNPC1RAB9AMAOAACHE
SCHEMBL19000545 0.80 MAOB (0.58) MAOBNPC1RAB9AMAOAACHE
SCHEMBL17548021 0.78 MRGPRX4 (0.52) MAOBNPC1RAB9AMAOAACHE
SCHEMBL891195 0.78 MAOB (0.69) MAOBNPC1RAB9AMAOAPARP10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2017-02-02 US disclosed
US-9487704-B2 Nematic liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20160060526-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-03-03 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-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION GPX1, LPO, SCO2 MAOB 1116/4885NPC1 2489/4885RAB9A 4100/4885

“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.