SCHEMBL196993

SCHEMBL196993

PC(CCCC1CCCCC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
SIGMAR1 Q99720 3/20 0.42
SHBG P04278 1/20 0.37
METAP1 P53582 1/20 0.35
EPHX1 P07099 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
OPRK1 P41145 2/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL198377 0.87 METAP1 (0.41) CYP1A2SIGMAR1SHBGMETAP1EPHX1
SCHEMBL28240915 0.77 SHBG (0.48) CYP1A2SIGMAR1SHBGMETAP1EPHX1
SCHEMBL3955840 0.75 CYP1A2 (0.41) CYP1A2SIGMAR1METAP1EPHX1HPGD
SCHEMBL8943489 0.73 SHBG (0.45) CYP1A2SIGMAR1SHBGEPHX1
SCHEMBL196915 0.73 EPHX1 (0.37) CYP1A2SHBGEPHX1
SCHEMBL27580674 0.72 SHBG (0.43) CYP1A2SIGMAR1SHBGEPHX1
SCHEMBL3957635 0.72 CYP1A2 (0.38) CYP1A2SIGMAR1METAP1EPHX1
SCHEMBL8082088 0.72 CYP1A2 (0.42) CYP1A2SIGMAR1SHBGMETAP1EPHX1
SCHEMBL7434472 0.72 CYP1A2 (0.42) CYP1A2SIGMAR1SHBGMETAP1EPHX1
SCHEMBL16418310 0.72 CYP1A2 (0.52) CYP1A2SIGMAR1SHBGMETAP1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
CN-101772508-A Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL CO 2010-07-07 CN disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-20090048413-A1 Method for Production of Conjugated Polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-19 US disclosed
EP-1997844-A1 METHOD FOR PRODUCTION OF CONJUGATED POLYMER Sumitomo Chemical Company, Limited (JP) 2008-12-03 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 (2 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 CYP1A2 191/4885SIGMAR1 3855/4885SHBG 3457/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 CYP1A2 228/4885SIGMAR1 2897/4885SHBG 2932/4885

“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.