SCHEMBL4576499

SCHEMBL4576499

CN(C)c1ccc(/C=C2/CCCCC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
HPGD P15428 1/20 1.00
CYP1A2 P05177 2/20 0.73
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
LMNA P02545 2/20 0.65
AKR1C3 P42330 1/20 0.57
AKR1C1 Q04828 1/20 0.57
HTT P42858 1/20 0.56
EGFR P00533 2/20 0.56
MAPK1 P28482 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NSD2 O96028 1/20 0.54
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50

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
SCHEMBL3742453 1.00 MAPT (1.00) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3738691 0.97 MAPT (0.93) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10021997 0.97 MAPT (0.93) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10621315 0.97 MAPT (0.93) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28009938 0.84 MAPT (0.72) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28009927 0.84 MAPT (0.72) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL815091 0.84 CYP1A2 (1.00) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL815092 0.84 CYP1A2 (1.00) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL19474922 0.84 CYP1A2 (1.00) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28010604 0.82 MAPT (0.68) MAPTNPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4367280-A AROMATIC CARBONYL COMPOUND AND P-DIALKYLAMINO AROMATIC CARBONYL COMPOUND COMBINATION POLYMERIZATION INITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1983-01-04 US claimed
EP-3974200-A1 ACTINIC-RAY-CURABLE LITHOGRAPHIC PRINTING INK AND METHOD FOR PRODUCING PRINT USING SAME Toray Industries, Inc. (JP) 2022-03-30 EP disclosed
EP-3381988-B1 LITHOGRAPHIC INK TORAY INDUSTRIES (JP) 2022-01-05 EP disclosed
US-11161991-B2 Lithographic ink TORAY INDUSTRIES, INC. (JP) 2021-11-02 US disclosed
US-20180371269-A1 LITHOGRAPHIC INK TORAY INDUSTRIES, INC. (JP) 2018-12-27 US disclosed
EP-3381988-A1 LITHOGRAPHIC INK Toray Industries, Inc. (JP) 2018-10-03 EP disclosed
US-9409845-B2 Alpha-(3,5-dimethoxybenzylidene)-alpha′-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2016-08-09 US disclosed
US-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2015-09-17 US disclosed
US-7455879-B2 Continuously applying a phosphor paste containing a phosphor powder and an organic compound onto a substrate with barrier ribs, from a paste applicator with many outlet holes to form a phosphor layer; highly precise TORAY INDUSTRIES, INC. (JP) 2008-11-25 US disclosed
US-4367280-A AROMATIC CARBONYL COMPOUND AND P-DIALKYLAMINO AROMATIC CARBONYL COMPOUND COMBINATION POLYMERIZATION INITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1983-01-04 US disclosed
US-4264710-A AN ETHYLENICALLY UNSATURATED COMPOUND, AND A PHOTOPOLYMERIZATION INIATOR FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 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-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof EGFR, KDR, BMI1 MAPT 4173/4885NPC1 3485/4885RAB9A 3031/4885

“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.