SCHEMBL8487542

SCHEMBL8487542

C=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
ALDH1A1 P00352 10/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
GLA P06280 1/20 0.41
TDP2 O95551 1/20 0.39
SMAD3 P84022 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
ALPL P05186 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2324941 0.81
SCHEMBL15630156 0.80
SCHEMBL18721774 0.71 MAOA (0.46) MAOAALDH1A1MAPTKDM4EPOLB
SCHEMBL8487541 0.71 ALDH1A1 (0.46) MAOAALDH1A1MAPTKDM4EPOLB
SCHEMBL581954 0.70 ALDH1A1 (0.46) MAOAALDH1A1MAPTKDM4EPOLB
SCHEMBL18689511 0.67
SCHEMBL2691041 0.67
SCHEMBL8083467 0.67 ALDH1A1 (0.47) MAOAALDH1A1MAPTKDM4EPOLB
SCHEMBL11934162 0.67 MAOA (0.43) MAOAALDH1A1MAPTKDM4EPOLB
SCHEMBL60469 0.67 ALDH1A1 (0.47) MAOAALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023060858-A1 MONOCHROMATIC FLUORESCENCE MRT GENE SEQUENCING REAGENT AND METHOD BASED ON ENVIRONMENT-SENSITIVE DYE 深圳铭毅智造科技有限公司 2023-04-20 WO disclosed
US-20120283101-A1 Plant Additives and Uses Thereof to Modulate the Synthesis of Membrane Glycerolipids in Planta COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 US disclosed
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-8039625-B2 Coronene charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-18 US disclosed
US-7887998-B2 Silver halide photographic light-sensitive material FUJIFILM CORPORATION (JP) 2011-02-15 US disclosed
US-7887998-B2 Silver halide photographic light-sensitive material FUJIFILM CORPORATION (JP) 2011-02-15 US disclosed
US-20090130366-A1 Optical Information-Recording Medium and Information-Recording Method FUJIFILM CORPORATION (JP) 2009-05-21 US disclosed
US-20090130366-A1 Optical Information-Recording Medium and Information-Recording Method FUJIFILM CORPORATION (JP) 2009-05-21 US disclosed
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2009-02-19 US disclosed
US-20080283804-A1 include a bridge of pi-conjugated bonds connecting electron donating or accepting groups; electronically excited upon absorption lead to formation of Lewis acidic species, Lewis basic species, radical species or ionic species; chromogens use in engineering, biological, and medicinal field CALIFORNIA INSTITUTE OF TECHNOLOGY 2008-11-20 US disclosed
US-7303851-B2 Silver halide photographic light-sensitive material FUJIFILM CORPORATION (JP) 2007-12-04 US disclosed
US-7303851-B2 Silver halide photographic light-sensitive material FUJIFILM CORPORATION (JP) 2007-12-04 US disclosed
US-20070224536-A1 SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL HIRANO MITSUNORI 2007-09-27 US disclosed
US-20070224536-A1 SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL HIRANO MITSUNORI 2007-09-27 US disclosed
WO-2007001095-A1 OPTICAL INFORMATION-RECORDING MEDIUM AND INFORMATION-RECORDING METHOD FUJIFILM CORPORATION (JP) 2007-01-04 WO disclosed
WO-1999032428-A2 SYNTHESIS OF DIAMINES INTERNATIONAL CENTRE FOR GENETIC ENGINEERING AND BIOTECHNOLOGY (IT) 1999-07-01 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 (2 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-20120283101-A1 Plant Additives and Uses Thereof to Modulate the Synthesis of Membrane Glycerolipids in Planta PGM2, SGMS2, PHOSPHO1 MAOA 3332/4885ALDH1A1 3248/4885MAPT 4242/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 MAOA 1876/4885ALDH1A1 2790/4885MAPT 2534/4885

“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.