SCHEMBL459472

SCHEMBL459472

COc1cc[c]c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL9477843 0.80 AOC3 (0.32) CA12CA1CA2CA4CA7
SCHEMBL8187197 0.78 TRPV4 (0.33) CA12CA1CA2CA4CA7
SCHEMBL7731738 0.74 AKR1B10 (0.32) CA12CA1CA2CA4CA7
SCHEMBL4633295 0.73 CA1 (0.42) CA12CA1CA2CA4CA7
SCHEMBL9672090 0.73
SCHEMBL4993274 0.73 ALDH1A1 (0.36)
SCHEMBL7152266 0.73 PDE4B (0.36) CA12CA1CA2CA4CA7
SCHEMBL2955217 0.73 CA2 (0.43) CA12CA1CA2CA4CA7
SCHEMBL855717 0.72 CA2 (0.30) CA2
SCHEMBL5485666 0.72

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
WO-2021058740-A1 CATALYSTS BOREALIS AG (AT) 2021-04-01 WO disclosed
WO-2021058742-A1 HETEROPHASIC POLYPROPYLENE COPOLYMERS BOREALIS AG (AT) 2021-04-01 WO disclosed
US-9090527-B2 Method for producing transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing substituted cyclopentadiene compound (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-28 US disclosed
US-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 US disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
US-20140018565-A1 METHOD FOR PRODUCING TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
EP-2614069-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS Kanata Chemical Technologies Inc. (CA) 2013-07-17 EP disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012031358-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-15 WO disclosed
EP-0810231-B1 Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein SHELL INT RESEARCH (NL) 2000-01-19 EP disclosed
US-5925717-A SELECTIVE HYDROGENATION OF POLYMERS WITH TITANIUM CATALYSTS WITH INDENE COMPOUND LIGANDS SHELL OIL COMPANY (US) 1999-07-20 US disclosed
EP-0801079-B1 Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein SHELL INT RESEARCH (NL) 1999-07-07 EP disclosed
US-5886107-A USING TITANIUM CATALYST, ALKALI METAL HYDRIDE SHELL OIL COMPANY (US) 1999-03-23 US disclosed
US-5814709-A TITANIUM COMPLEXES WITH ALKALI METAL HYDRIDE, BORIUM COMPOUND FOR HYDROGENATION OF POLYMERS SHELL OIL COMPANY (US) 1998-09-29 US disclosed
EP-0810231-A1 Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-12-03 EP disclosed
EP-0801079-A1 Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-10-15 EP disclosed
EP-0795564-A1 Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-09-17 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 (1 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-20140018565-A1 METHOD FOR PRODUCING TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) CPN1, CNOT9, CPNE4 CA12 509/4885CA1 233/4885CA2 223/4885

“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.