SCHEMBL2278728

SCHEMBL2278728

COc1cc(C)n(C)c(=O)c1C(=O)/C=C/c1cccc(N(OC)C(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.43
ABCB1 P08183 8/20 0.42
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KCNA3 P22001 1/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2279271 0.89 ABCG2 (0.41) ABCG2ABCB1MAPTNPSR1KMT2A
SCHEMBL3529088 0.81 MAPT (0.53) ABCG2ABCB1MAPTNPSR1TXNRD1
SCHEMBL2278507 0.77 ABCG2 (0.50) ABCG2ABCB1MAPTNPSR1TXNRD1
SCHEMBL2282484 0.77 ABCG2 (0.50) ABCG2ABCB1MAPTTXNRD1TXNRD3
SCHEMBL2282486 0.77 ABCG2 (0.50) ABCG2ABCB1MAPTTXNRD1TXNRD3
SCHEMBL2278509 0.77 ABCG2 (0.50) ABCG2ABCB1MAPTNPSR1TXNRD1
SCHEMBL2284303 0.76 ABCG2 (0.48) ABCG2ABCB1MAPTTXNRD1TXNRD3
SCHEMBL2284307 0.76 ABCG2 (0.48) ABCG2ABCB1MAPTTXNRD1TXNRD3
SCHEMBL4522124 0.76 NQO1 (0.37) ABCG2ABCB1MAPTNPSR1KCNA3
SCHEMBL2275775 0.76 LMNA (0.45) ABCG2MAPTNPSR1KMT2AMEN1

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 ABCG2 4878/4885ABCB1 2475/4885MAPT 4848/4885

“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.