SCHEMBL9330992

SCHEMBL9330992

C=CC(C)OC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
LMNA P02545 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
F2 P00734 1/20 0.47
POLB P06746 2/20 0.47
AKT1 P31749 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
MAPT P10636 3/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL8650205 0.87 MAPT (0.46) TSHRTP53PDCD1CD274LMNA
Hydrochloric Acid SCHEMBL10339529 0.86 MAPT (0.45) TSHRTP53PDCD1CD274LMNA
SCHEMBL8674955 0.84 CA12 (0.65) TSHRPDCD1CD274LMNASMN1; SMN2
SCHEMBL28806978 0.83 TSHR (0.60) TSHRTP53PDCD1CD274LMNA
SCHEMBL2982474 0.83 TSHR (0.55) TSHRTP53PDCD1CD274LMNA
SCHEMBL4445776 0.83 TSHR (0.55) TSHRTP53PDCD1CD274LMNA
SCHEMBL2220690 0.83 TSHR (0.60) TSHRTP53PDCD1CD274LMNA
SCHEMBL18232765 0.83 TSHR (0.60) TSHRTP53PDCD1CD274LMNA
SCHEMBL2980320 0.83 TSHR (0.55) TSHRTP53PDCD1CD274LMNA
SCHEMBL27592818 0.82 ALDH1A1 (0.48) PDCD1CD274LMNANPC1SMN1; SMN2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-07-14 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
CN-111247486-A Method for manufacturing circuit substrate and method for manufacturing touch panel 富士胶片株式会社 2020-06-05 CN disclosed
CN-111065973-A Method for manufacturing circuit wiring and method for manufacturing touch panel 富士胶片株式会社 2020-04-24 CN disclosed
EP-2726202-B1 METHOD FOR THE PREPARATION OF PALLADIUM(I) TRI-TERT-BUTYLPHOSPHINE BROMIDE DIMER UMICORE AG & CO KG (DE) 2018-05-16 EP disclosed
US-9701704-B2 Catalysts for (E)-selective olefin metathesis CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
US-9403854-B2 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-02 US disclosed
US-9403854-B2 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-02 US disclosed
US-9192927-B2 Method for the preparation of palladium(I) tri-tert-butylphosphine bromide dimer and process for its use in isomerization reactions UMICORE AG & CO. KG (DE) 2015-11-24 US disclosed
US-9192927-B2 Method for the preparation of palladium(I) tri-tert-butylphosphine bromide dimer and process for its use in isomerization reactions UMICORE AG & CO. KG (DE) 2015-11-24 US disclosed
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-05-17 US disclosed
US-8008224-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2011-08-30 US disclosed
US-8008224-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2011-08-30 US disclosed
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-12-06 US disclosed
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-12-06 US disclosed
US-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-05 US disclosed
US-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-05 US disclosed
EP-0293908-B1 Molding material for optics MITSUBISHI GAS CHEMICAL CO (JP) 1994-04-06 EP disclosed
US-4888401-A GRAFT POLYMERS OF STYRENE WITH MALEIC ANHYDRIDE OR MALEIMIDE AND AROMATIC POLYCARBONATES MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 1989-12-19 US disclosed
EP-0293908-A2 Molding material for optics MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-12-07 EP 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-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS ORC3, OXER1, CBR3 TSHR 2215/4885TP53 1315/4885PDCD1 887/4885
US-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts OXER1, OSTC, OXSR1 TSHR 2555/4885TP53 2818/4885PDCD1 2082/4885
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins ORC3, OXER1, CBR3 TSHR 2215/4885TP53 1315/4885PDCD1 887/4885
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis PPOX, CYBA, CYBB TSHR 4806/4885TP53 1344/4885PDCD1 2816/4885
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis PPOX, CYBA, CYBB TSHR 4806/4885TP53 1344/4885PDCD1 2816/4885

“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.