SCHEMBL8103201

SCHEMBL8103201

I/C=C/CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 17/20 0.55
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOB P27338 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
SCHEMBL8103204 1.00 GPR52 (0.55) GPR52ALDH1A1HPGDALOX15ALOX12
SCHEMBL11774828 0.86 HDAC3 (0.47) GPR52ALDH1A1HPGDALOX15ALOX12
SCHEMBL11774835 0.86 HDAC3 (0.47) GPR52ALDH1A1HPGDALOX15ALOX12
SCHEMBL9715286 0.85 GPR52 (0.57) GPR52ALDH1A1HPGDALOX15ALOX12
SCHEMBL7762164 0.85 GPR52 (0.57) GPR52ALDH1A1HPGDALOX15ALOX12
SCHEMBL7762166 0.85 GPR52 (0.57) GPR52ALDH1A1HPGDALOX15ALOX12
SCHEMBL11772102 0.85 TRPV1 (0.50) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11772108 0.85 TRPV1 (0.50) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11775695 0.83 TRPV1 (0.53) MAOB
SCHEMBL11773033 0.83 TRPV1 (0.53) MAOB

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
EP-2859002-B1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE UNIV PENNSYLVANIA (US) 2020-12-30 EP disclosed
US-9850261-B2 Silicon-based cross coupling agents and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-12-26 US disclosed
US-9850261-B2 Silicon-based cross coupling agents and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-12-26 US disclosed
US-20170210766-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-27 US disclosed
US-20170210766-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-27 US disclosed
US-9499660-B2 Silicon-based cross coupling agents and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-11-22 US disclosed
US-9499660-B2 Silicon-based cross coupling agents and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-11-22 US disclosed
WO-2016011231-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-01-21 WO disclosed
US-20150152216-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2015-06-04 US disclosed
US-20150152216-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2015-06-04 US disclosed
JP-2000044499-A PRODUCTION OF HALOGENATED ALKENYL AND ALKENYL SILANE FROM ALDEHYDE JAPAN SCIENCE & TECHNOLOGY CORP 2000-02-15 JP 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-20170210766-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE RAD51, CA1, DCLRE1A GPR52 4707/4885ALDH1A1 4497/4885HPGD 2119/4885
US-20150152216-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE RAD51, CA1, DCLRE1A GPR52 4707/4885ALDH1A1 4497/4885HPGD 2119/4885

“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.