SCHEMBL7145533

SCHEMBL7145533

C#CC(C)(OCC=C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 5/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
IDH2 P48735 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL24627913 0.82 MAPK1 (0.33) MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL4872496 0.79 ALDH1A1 (0.36) MAPK1ALDH1A1TSHRMAPTMEN1
SCHEMBL8847011 0.77 MAPK1 (0.38) MAPK1ALDH1A1TSHRMAPTTAAR1
SCHEMBL14838581 0.77 ALDH1A1 (0.38) MAPK1ALDH1A1TSHRMAPTKMT2A
SCHEMBL9887940 0.76 MAPK1 (0.36) MAPK1ALDH1A1TSHRMEN1KMT2A
SCHEMBL15070917 0.75 ALDH1A1 (0.35) MAPK1ALDH1A1TSHRMAPTKMT2A
SCHEMBL20219146 0.75 ALDH1A1 (0.31) MAPK1ALDH1A1TSHRMEN1KMT2A
SCHEMBL2856185 0.72 KIF11 (0.50) MAPK1ALDH1A1TSHRMEN1KMT2A
SCHEMBL179890 0.72 MAPK1 (0.33) MAPK1ALDH1A1ALOX15
SCHEMBL28886036 0.71 ALDH1A1 (0.40) MAPK1ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220161245-A1 Compositions And Methods For Infrared-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-05-26 US disclosed
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-05-17 US disclosed
US-20180065914-A1 RUTHENIUM POLYMERISATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2018-03-08 US disclosed
US-20180065914-A1 RUTHENIUM POLYMERISATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2018-03-08 US disclosed
US-9815765-B2 Ruthenium polymerisation catalysts UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2017-11-14 US disclosed
US-9815765-B2 Ruthenium polymerisation catalysts UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2017-11-14 US disclosed
US-9233994-B2 Ruthenium complexes for use in olefin metathesis UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2016-01-12 US disclosed
US-9233994-B2 Ruthenium complexes for use in olefin metathesis UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2016-01-12 US disclosed
US-20140228563-A1 RUTHENIUM POLYMERISATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2014-08-14 US disclosed
US-20130165649-A1 RUTHENIUM COMPLEXES FOR USE IN OLEFIN METATHESIS UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2013-06-27 US disclosed
US-20130165649-A1 RUTHENIUM COMPLEXES FOR USE IN OLEFIN METATHESIS UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2013-06-27 US disclosed
WO-2013045876-A1 RUTHENIUM POLYMERISATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2013-04-04 WO disclosed
WO-2011117571-A1 RUTHENIUM COMPLEXES FOR USE IN OLEFIN METATHESIS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2011-09-29 WO disclosed
WO-2010040939-A1 NOVEL METHOD FOR THE METATHESIS OF OLEFINS OR ENYNES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-04-15 WO disclosed
US-6590048-B1 Catalysts comprising group VIII compounds used for cyclization of crown ethers, antibiotics, veterinary medicines or perfumes STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-07-08 US disclosed
EP-1037897-B1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-06-12 EP disclosed
EP-1037897-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS Studiengesellschaft Kohle mbH (DE) 2000-09-27 EP disclosed
WO-1999028330-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-06-10 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 (5 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-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis PPOX, CYBA, CYBB MAPK1 4079/4885ALDH1A1 1395/4885TSHR 4806/4885
US-20220161245-A1 Compositions And Methods For Infrared-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis CYBB, CYBA, CYB5R3 MAPK1 3759/4885ALDH1A1 714/4885TSHR 4665/4885
US-20180065914-A1 RUTHENIUM POLYMERISATION CATALYSTS RRP12, PCBP1, PARG MAPK1 3211/4885ALDH1A1 4132/4885TSHR 3395/4885
US-20130165649-A1 RUTHENIUM COMPLEXES FOR USE IN OLEFIN METATHESIS OSBP, CYCS, OSBPL3 MAPK1 3588/4885ALDH1A1 4330/4885TSHR 2801/4885
US-20140228563-A1 RUTHENIUM POLYMERISATION CATALYSTS RRP12, PCBP1, PARG MAPK1 3211/4885ALDH1A1 4132/4885TSHR 3395/4885

“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.