SCHEMBL2280642

SCHEMBL2280642

N#CCCc1cccc(C2OCCO2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC5A2 P31639 2/20 0.31
JAK3 P52333 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL6513632 0.79 HTT (0.36) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL9281772 0.79 TDP1 (0.41) ALDH1A1HTTSMN1; SMN2SLC5A2KIF11
SCHEMBL10169208 0.75 SLC5A2 (0.35) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL232609 0.75 SLC5A2 (0.35) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL11941052 0.75 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2SLC5A2KIF11
SCHEMBL5604860 0.75 NCF1 (0.44) ALDH1A1HTTSMN1; SMN2
SCHEMBL6517744 0.75 FOLH1 (0.38) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL8022584 0.75 ALDH1A1 (0.37) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL6517254 0.75 CHRNB4 (0.45) ALDH1A1HTTSMN1; SMN2DRD2DRD3
SCHEMBL10665720 0.74 HTT (0.35) MEN1KMT2AALDH1A1HTTSMN1; SMN2

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-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-7691883-B2 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-06 US disclosed
US-20070265228-A1 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-15 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-1671961-A1 CINNAMOYL COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-21 EP 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 (2 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 MEN1 3520/4885KMT2A 3569/4885ALDH1A1 576/4885
US-20070265228-A1 Cinnamoyl compound and use of the same NPC1, CES2, CYP51A1 MEN1 876/4885KMT2A 3443/4885ALDH1A1 83/4885

“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.