SCHEMBL2282472

SCHEMBL2282472

COCCn1c(C)cc(O)c(C(=O)C=Cc2cccc(OCC#N)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ABCG2 Q9UNQ0 4/20 0.43
LMNA P02545 3/20 0.43
APP P05067 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
PADI4 Q9UM07 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 3/20 0.38
NQO1 P15559 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2282468 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EABCG2LMNAAPP
SCHEMBL2285011 0.88 ABCG2 (0.43) ALDH1A1ABCG2LMNAAPPMAOA
SCHEMBL2285013 0.88 ABCG2 (0.43) ALDH1A1ABCG2LMNAAPPMAOA
SCHEMBL2275776 0.88 ABCG2 (0.42) ALDH1A1KDM4EABCG2LMNAAPP
SCHEMBL2275778 0.88 ABCG2 (0.42) ALDH1A1KDM4EABCG2LMNAAPP
SCHEMBL2279866 0.88 ABCG2 (0.42) ALDH1A1KDM4EABCG2LMNAAPP
SCHEMBL2279872 0.88 ABCG2 (0.42) ALDH1A1KDM4EABCG2LMNAAPP
SCHEMBL2284292 0.87 ABCG2 (0.45) ALDH1A1KDM4EABCG2LMNAAPP
SCHEMBL2284289 0.87 ABCG2 (0.45) ALDH1A1KDM4EABCG2LMNAAPP
SCHEMBL2281279 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EABCG2LMNAAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed
US-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-21 US disclosed
EP-1671948-A1 CINNAMOYL COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-21 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 (1 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-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis COL2A1, COL1A1, COL14A1 ALDH1A1 576/4885KDM4E 2443/4885ABCG2 4878/4885

“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.