SCHEMBL196619

SCHEMBL196619

CCCCCCCCCCOc1cc(Cl)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 2/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 2/20 0.48
RAB9A P51151 2/20 0.47
KCNA3 P22001 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL1311060 1.00 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ECYP2C9CYP2C19
SCHEMBL17546739 0.93 ALDH1A1 (0.57) ALDH1A1LMNAKDM4ECYP2C9CYP2C19
SCHEMBL26667637 0.87 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ECYP2C9CYP2C19
SCHEMBL15894081 0.86 ALDH1A1 (0.60) ALDH1A1KDM4ECYP2C19CYP1A2CYP2D6
SCHEMBL15894082 0.86 ALDH1A1 (0.60) ALDH1A1KDM4ECYP2C19CYP1A2CYP2D6
SCHEMBL15494435 0.84 NR5A1 (0.51) KDM4ETSHRL3MBTL1TDP1THRA
SCHEMBL8955786 0.84 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ECYP2C9CYP2C19
SCHEMBL15894111 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ECYP2C19CYP1A2CYP2D6
SCHEMBL24305898 0.83 SMPD1 (0.56) RAB9ATHRATHRBGAAMEN1
SCHEMBL9698519 0.83 SMPD1 (0.57) ALDH1A1LMNARAB9AKCNA3L3MBTL1

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
EP-2390244-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275780-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMCIAL COMPANY LIMITED 2011-11-10 US disclosed
US-20110256626-A1 METHOD FOR PRODUCING INDUCED PLURIPOTENT STEM CELLS WITH HIGH EFFICIENCY AND INDUCED POLURIPOTENT STEM CELLS PROUCED THEREBY SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2011-10-20 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
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

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 ALDH1A1 974/4885LMNA 2664/4885KDM4E 1741/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 ALDH1A1 1092/4885LMNA 3345/4885KDM4E 2705/4885

“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.