SCHEMBL7308855

SCHEMBL7308855

COc1c[c]c(C)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPT P10636 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
SCHEMBL7473103 0.79 CYP3A4 (0.40) CA9CA12CA1CA2CA4
SCHEMBL10901594 0.78 ACHE (0.36) ACHECA9CA12CA1CA2
SCHEMBL2154014 0.78 ACHE (0.41) ACHECA9CA12CA1CA2
SCHEMBL7201812 0.78
SCHEMBL484326 0.73 AGXT (0.32) ACHE
SCHEMBL312345 0.73 ACHE (0.37) ACHECA9CA2CA4CYP3A4
SCHEMBL312101 0.73 ACHE (0.37) ACHECA9CYP3A4MAPT
SCHEMBL311320 0.73 ACHE (0.37) ACHECA9CYP3A4MAPT
SCHEMBL313088 0.73 ACHE (0.37) ACHECA9CYP3A4MAPT
SCHEMBL9423358 0.72 TDP1 (0.40) CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508220-B1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE AG (DE) 1995-07-26 EP claimed
EP-0508220-A1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE Aktiengesellschaft (DE) 1992-10-14 EP claimed
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-2691405-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) Sumitomo Chemical Company Limited (JP) 2014-02-05 EP 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
WO-2012133925-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO 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

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 ACHE 2967/4885CA9 55/4885CA12 509/4885

“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.