SCHEMBL2278745

SCHEMBL2278745

C#CCn1c(C)cc(O)c(C(=O)/C=C/c2cccc(OCC#N)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP19A1 P11511 1/20 0.37
NR1H4 Q96RI1 3/20 0.37
APP P05067 1/20 0.37
NQO1 P15559 1/20 0.37
PADI4 Q9UM07 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2278751 1.00 ABCG2 (0.42) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2275778 0.88 ABCG2 (0.42) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2279866 0.88 ABCG2 (0.42) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2279872 0.88 ABCG2 (0.42) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2275776 0.88 ABCG2 (0.42) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2284213 0.88 ABCG2 (0.42) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2281284 0.88 ALDH1A1 (0.44) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2284209 0.88 ABCG2 (0.42) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2281279 0.88 ALDH1A1 (0.44) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2282468 0.87 ALDH1A1 (0.45) ABCG2ALDH1A1LMNASMN1; SMN2KDM4E

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 4878/4885ALDH1A1 576/4885LMNA 537/4885

“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.