SCHEMBL2290706

SCHEMBL2290706

COc1c(C=CC(=O)O)cc(CCC(C)C)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
KDM4E B2RXH2 5/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL4017041 0.84 KDM4E (0.34) ALOX5CA12CA1CA2CA4
SCHEMBL22070142 0.80 ALOX5 (0.37) ALOX5NFKB1NFKB2RELALMNA
SCHEMBL2851113 0.79 ALOX5 (0.36) ALOX5NFKB1NFKB2RELAMAP3K7
SCHEMBL21625542 0.79 ALOX5 (0.39) ALOX5NFKB1NFKB2RELALMNA
SCHEMBL196086 0.77 PTGER4 (0.48) ALOX5CA12CA1CA2CA4
SCHEMBL290383 0.77 PTGER4 (0.48) ALOX5CA12CA1CA2CA4
SCHEMBL2290699 0.77 KDM4E (0.51) ALOX5CA12CA1CA2CA4
SCHEMBL16048857 0.76 ALOX5 (0.47) ALOX5CA12CA1CA2CA4
SCHEMBL16048858 0.76 ALOX5 (0.47) ALOX5CA12CA1CA2CA4
SCHEMBL28238937 0.75 CA1 (0.45) ALOX5CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200666-A1 UV PROTECTION AGENT FOR THE SKIN OR HAIR HAVING A UV FILTER SUBSTANCE ENCAPSULATED IN A VESICULAR CARRIER SYSTEMü ROVI COSMETICS INTERNATIONAL GMBH (DE) 2011-08-18 US claimed

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-20110200666-A1 UV PROTECTION AGENT FOR THE SKIN OR HAIR HAVING A UV FILTER SUBSTANCE ENCAPSULATED IN A VESICULAR CARRIER SYSTEMü HNRNPU, CD44, CUTA ALOX5 3788/4885CA12 1023/4885CA1 3475/4885

“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.