SCHEMBL822792

SCHEMBL822792

CCCCCCCCCCOc1cc(Cc2ccc(C(=O)c3ccc(Oc4ccc(C(c5ccc(Oc6ccc(C(=O)c7ccc(C)cc7)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.37
PLK1 P53350 3/20 0.37
SRD5A2 P31213 1/20 0.37
PPARD Q03181 3/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
CYP19A1 P11511 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.35
PSEN1 P49768 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL822793 0.82 SRD5A2 (0.52) SRD5A2ALDH1A1HPGD
SCHEMBL2697311 0.79 SRD5A2 (0.50) SRD5A2
SCHEMBL822657 0.79 SRD5A2 (0.34) PLK1SRD5A2ALDH1A1
SCHEMBL13665766 0.78 SRD5A2 (0.51) SRD5A2HPGD
SCHEMBL822654 0.77 HTT (0.39) PPARGPPARATSHR
SCHEMBL13670332 0.77 MAPK14 (0.45) SRD5A2ALDH1A1HPGD
SCHEMBL822660 0.77 HTT (0.44) CYP19A1TSHR
SCHEMBL14174313 0.77 FFAR4 (0.37) PPARDPPARGPPARATSHRALDH1A1
SCHEMBL758563 0.76 MMP13 (0.53) SRD5A2TSHRALDH1A1HPGD
SCHEMBL14511013 0.76 MMP13 (0.53) SRD5A2TSHRALDH1A1HPGD

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 6 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 PLA2G2D 3345/4885PLK1 2245/4885SRD5A2 3817/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 PLA2G2D 4713/4885PLK1 1575/4885SRD5A2 2612/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 PLA2G2D 4503/4885PLK1 2572/4885SRD5A2 2911/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR PLA2G2D 4796/4885PLK1 1459/4885SRD5A2 2278/4885

“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.