SCHEMBL17348229

SCHEMBL17348229

COC(=O)c1cccc(-c2cccc(C(C)=O)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
ERN1 O75460 4/20 0.59
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
PLAU P00749 2/20 0.55
CDK8 P49336 1/20 0.55
RAB9A P51151 2/20 0.54
TSHR P16473 1/20 0.53
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
PGGT1B P53609 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51

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
SCHEMBL67941 0.92 CA12 (0.68) CA12CA9CA1CA2ERN1
SCHEMBL4433239 0.91 CA12 (0.60) CA12CA9CA1CA2ERN1
SCHEMBL29585950 0.90 TSHR (0.59) CA12CA9CA1CA2RAB9A
SCHEMBL70071 0.90 TSHR (0.59) CA12CA9CA1CA2RAB9A
SCHEMBL27715902 0.90 CA12 (0.71) CA12CA9CA1CA2ERN1
SCHEMBL1221576 0.87 TSHR (0.67) CA12CA9CA1CA2ERN1
SCHEMBL29410906 0.87 TSHR (0.67) CA12CA9CA1CA2ERN1
SCHEMBL10389918 0.86 MAP4K4 (0.59) CDK8ALDH1A1
Hydrochloric Acid SCHEMBL29506745 0.85 CA12 (0.65) CA12CA9CA1CA2ERN1
SCHEMBL3032014 0.85 KMO (0.63) CA12CA9CA1CA2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230195003-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-06-22 US disclosed
US-20230195003-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-06-22 US disclosed
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP disclosed
US-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-11-05 US disclosed
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-24 US disclosed
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 US disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
WO-2015191630-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-17 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 (4 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-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 CA12 3836/4885CA9 4372/4885CA1 2985/4885
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 CA12 3836/4885CA9 4372/4885CA1 2985/4885
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 CA12 3836/4885CA9 4372/4885CA1 2985/4885
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 CA12 3836/4885CA9 4372/4885CA1 2985/4885

“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.