SCHEMBL196915

SCHEMBL196915

PC(CC1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.76 METAP1 (0.41) EPHX1SHBGTP53CYP1A2
SCHEMBL19404066 0.74 EPHX1 (0.40) EPHX1SHBGTP53ALDH1A1LMNA
SCHEMBL2988423 0.74 EPHX1 (0.52) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL15703452 0.74 EPHX1 (0.52) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL2999144 0.74 EPHX1 (0.40) EPHX1SHBGTP53ALDH1A1LMNA
SCHEMBL196993 0.73 CYP1A2 (0.45) EPHX1SHBGCYP1A2
SCHEMBL14302100 0.72 SHBG (0.56) EPHX1SHBGTP53LMNACYP1A2
SCHEMBL3635972 0.72 EPHX1 (0.39) EPHX1SHBGTP53ALDH1A1LMNA
SCHEMBL1324529 0.72 EPHX1 (0.48) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL24622520 0.70 SHBG (0.42) EPHX1SHBGTP53MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139869-B Diphosphino metal complexes, methods of making and methods of use 香港大学 2022-03-22 CN disclosed
CN-110139869-A Diphosphine metal carbonyl complexes, preparation method and application method 香港大学 2019-08-16 CN disclosed
CN-103974927-A Method for producing formic acid by reacting carbon dioxide with hydrogen BASF SE 2014-08-06 CN disclosed
US-20130090496-A1 PROCESS FOR PREPARING FORMIC ACID BY REACTING CARBON DIOXIDE WITH HYDROGEN BASF SE (DE) 2013-04-11 US disclosed
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 (3 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 EPHX1 4220/4885SHBG 3457/4885TP53 3105/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 EPHX1 4284/4885SHBG 2932/4885TP53 3249/4885
US-20130090496-A1 PROCESS FOR PREPARING FORMIC ACID BY REACTING CARBON DIOXIDE WITH HYDROGEN CA1, CA3, HAO2 EPHX1 1565/4885SHBG 4278/4885TP53 483/4885

“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.