SCHEMBL4347728

SCHEMBL4347728

CCCc1c(CC)oc(CC)c(CCC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
PGAM1 P18669 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH1B1 P30837 1/20 0.33
ALDH1A3 P47895 1/20 0.33
TYMP P19971 1/20 0.32
HSD17B3 P37058 1/20 0.31

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
SCHEMBL28725973 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDALDH1A2ALDH2
SCHEMBL10843557 0.76 TYMP (0.41) ALDH1A1PGAM1KDM4EHPGDALDH1A2
SCHEMBL4311567 0.71 ALDH1A1 (0.34) ALDH1A1KDM4EHPGD
SCHEMBL4305345 0.70
SCHEMBL16020517 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL31329426 0.68 ALDH1A1 (0.33) ALDH1A1TYMP
SCHEMBL31329417 0.67 CTRC (0.35) ALDH1A1KDM4EHPGDTYMP
SCHEMBL31329395 0.64 POLB (0.36) ALDH1A1
SCHEMBL712681 0.64 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12432421 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611696-B2 Sunscreen compositions as well as dihydropyridines and dihydropyranes DSM IP ASSETS B.V. (NL) 2009-11-03 US disclosed
EP-1474098-B1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP ASSETS BV (NL) 2006-08-02 EP disclosed
US-20050019278-A1 Sunscreen compositions as well as dihydropyridines and dihydropyranes ROCHE VITAMINS AG (CH) 2005-01-27 US disclosed
EP-1474098-A1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP Assets B.V. (NL) 2004-11-10 EP disclosed
WO-2003068183-A1 SUNSCREEN COMPOSITIONS AS WELL AS DIHYDROPYRIDINES AND DIHYDROPYRANES DSM IP ASSETS B.V. (NL) 2003-08-21 WO 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-20050019278-A1 Sunscreen compositions as well as dihydropyridines and dihydropyranes DHPS, DSG1, DHODH ALDH1A1 154/4885PGAM1 598/4885KDM4E 1689/4885

“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.