SCHEMBL4560099

SCHEMBL4560099

[CH]=C(OC)c1cc[c]c(OC[C@@H](CC)CCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
TSHR P16473 5/20 0.39
MAPK1 P28482 3/20 0.39
CYP3A4 P08684 5/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 3/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 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
SCHEMBL55940 1.00 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL2965177 0.91 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL3457667 0.87
SCHEMBL16115561 0.84
SCHEMBL178113 0.83 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL3900949 0.81 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL6009237 0.80 TDP1 (0.35) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4279142 0.80 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL594300 0.79 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL27639365 0.77 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9293720-B2 Carbon nanotubes as charge carriers in organic and hybrid solar cells NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2016-03-22 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
US-20090205713-A1 Carbon Nanotubes As Charge Carriers In Organic and Hybrid Solar Cells NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2009-08-20 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 (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-20090227625-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 ALDH1A1 2011/4885TSHR 1459/4885MAPK1 380/4885

“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.