SCHEMBL822657

SCHEMBL822657

CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(Cc3ccc(C(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.34
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK14 Q16539 1/20 0.32
PLK1 P53350 9/20 0.32
CHRNA7 P36544 1/20 0.32
PDK2 Q15119 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PLK3 Q9H4B4 1/20 0.31

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 0.80 SRD5A2 (0.52) SRD5A2MMP13ALDH1A1LMNAMAPK1
SCHEMBL822792 0.79 PLA2G2D (0.37) SRD5A2ALDH1A1PLK1
SCHEMBL822857 0.79 HTT (0.38) MMP13HTTSMN1; SMN2L3MBTL1
SCHEMBL822871 0.79 HTT (0.43) MMP13ALDH1A1LMNAHTTKMT2A
SCHEMBL822658 0.76 HTT (0.41) MMP13HTTSMN1; SMN2L3MBTL1
SCHEMBL13665766 0.76 SRD5A2 (0.51) SRD5A2MMP13KMT2AMAPK14
SCHEMBL13670332 0.74 MAPK14 (0.45) SRD5A2MMP13ALDH1A1LMNAMAPK1
SCHEMBL758563 0.73 MMP13 (0.53) SRD5A2MMP13ALDH1A1LMNAMAPK1
SCHEMBL2697311 0.73 SRD5A2 (0.50) SRD5A2MMP13KMT2AMAPK14
SCHEMBL14511013 0.73 MMP13 (0.53) SRD5A2MMP13ALDH1A1LMNAMAPK1

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 SRD5A2 3817/4885MMP13 3125/4885ALDH1A1 46/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 SRD5A2 2612/4885MMP13 4486/4885ALDH1A1 974/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 SRD5A2 2911/4885MMP13 4620/4885ALDH1A1 1092/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR SRD5A2 2278/4885MMP13 3099/4885ALDH1A1 816/4885

“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.