SCHEMBL6435102

SCHEMBL6435102

CCCCC/C=C\c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.53
CNR1 P21554 6/20 0.51
CNR2 P34972 4/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TRPA1 O75762 1/20 0.48
RELA Q04206 1/20 0.48
ESR1 P03372 2/20 0.47
ABL1 P00519 1/20 0.47
TTR P02766 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
ABCB1 P08183 1/20 0.47
ALOX5 P09917 1/20 0.47
BCR P11274 1/20 0.47
CYP19A1 P11511 1/20 0.47

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
SCHEMBL6434844 1.00 AHR (0.53) AHRCNR1CNR2LMNATP53
SCHEMBL6434839 1.00 AHR (0.53) AHRCNR1CNR2LMNATP53
SCHEMBL17682006 0.98 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL19667752 0.98 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL28162321 0.98 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL2005561 0.98 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL19452377 0.98 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL2005564 0.98 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL15688436 0.98 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL15688437 0.98 CNR1 (0.54) AHRCNR1CNR2LMNATP53

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 14 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
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
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
US-6867323-B2 Cross-coupling reaction of organosilicon nucleophiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-15 US disclosed
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN 2002-12-05 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 (3 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 AHR 3654/4885CNR1 3941/4885CNR2 3399/4885
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles TST, HPD, PCNA AHR 1606/4885CNR1 3286/4885CNR2 3809/4885
US-20150152216-A1 SILICON-BASED CROSS COUPLING AGENTS AND METHODS OF THEIR USE RAD51, CA1, DCLRE1A AHR 3654/4885CNR1 3941/4885CNR2 3399/4885

“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.