SCHEMBL822863

SCHEMBL822863

O=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(C(=O)c5ccc(Cl)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
SRD5A2 P31213 2/20 0.55
MAPK1 P28482 1/20 0.55
ELANE P08246 1/20 0.54
FABP2 P12104 1/20 0.53
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
SLC22A12 Q96S37 1/20 0.53
MMP1 P03956 2/20 0.50
CHEK2 O96017 1/20 0.49
CDH1 P12830 1/20 0.47
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
LTA4H P09960 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47

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
SCHEMBL822861 0.94 HPGD (0.70) HPGDSRD5A2MAPK1ELANEFABP2
SCHEMBL12861795 0.94 HPGD (0.70) HPGDSRD5A2MAPK1ELANEFABP2
SCHEMBL822832 0.94 HPGD (0.70) HPGDSRD5A2MAPK1ELANEFABP2
SCHEMBL9452119 0.93 SRD5A2 (0.61) HPGDSRD5A2FABP2PPARGPPARA
SCHEMBL2628119 0.91 HPGD (0.80) HPGDMAPK1ELANEFABP2PPARG
SCHEMBL13250817 0.91 HPGD (0.59) HPGDSRD5A2MAPK1ELANEFABP2
SCHEMBL17207958 0.88 HPGD (0.51) HPGDSRD5A2MAPK1ELANEFABP2
SCHEMBL8967156 0.87 SRD5A2 (0.70) HPGDSRD5A2MAPK1CNR1CNR2
SCHEMBL1681878 0.87 SRD5A2 (0.70) HPGDSRD5A2MAPK1CNR1CNR2
SCHEMBL8967203 0.86 MAPK1 (0.77) HPGDSRD5A2MAPK1ELANEFABP2

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 11 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-8236920-B2 Polyarylene and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110275780-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMCIAL COMPANY LIMITED 2011-11-10 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-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 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
US-20090326188-A1 Method for producing polyarylene SUMITOMO CHEMICAL COMPANY, LIMITED 2009-12-31 US disclosed
US-20090036632-A1 Polyarylene and Process for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-05 US disclosed
US-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 US 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 (6 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 HPGD 3914/4885SRD5A2 3817/4885MAPK1 1740/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 HPGD 3558/4885SRD5A2 2612/4885MAPK1 814/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 HPGD 3311/4885SRD5A2 2911/4885MAPK1 744/4885
US-20090036632-A1 Polyarylene and Process for Producing the Same CYP1A1, CYP1B1, C1R HPGD 4179/4885SRD5A2 2610/4885MAPK1 1418/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 HPGD 4241/4885SRD5A2 2249/4885MAPK1 2503/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR HPGD 2013/4885SRD5A2 2278/4885MAPK1 2094/4885

“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.