Octocrylene

Octocrylene

SCHEMBL3216088

CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHE

The experimentally established mechanism targets of Octocrylene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.82
LMNA P02545 3/20 0.82
MAPK1 P28482 3/20 0.82
CYP3A4 P08684 3/20 0.51
CA2 P00918 2/20 0.51
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TSHR P16473 3/20 0.42
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
HMGB1 P09429 1/20 0.35
HPGD P15428 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35

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
Octocrylene SCHEMBL3158652 0.93 ALDH1A1 (0.81) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL16483 0.91 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL1769135 0.91 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL28123035 0.90 ALDH1A1 (0.98) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL19583477 0.89 ALDH1A1 (0.95) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL9015793 0.89 ALDH1A1 (0.79) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL16806267 0.88 ALDH1A1 (0.89) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL818975 0.88 ALDH1A1 (0.93) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL8180706 0.88 ALDH1A1 (0.93) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL13492185 0.88 ALDH1A1 (0.93) ALDH1A1LMNAMAPK1CYP3A4CA2

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-20100047197-A1 COSMETIC FORMULATION CONTANING GLUCOSYL GLYCERIDES AND UREA BEIERSDORF AG (DE) 2010-02-25 US claimed
EP-2854770-B1 METHOD FOR PREPARING A DERMATOLOGICAL COMPOSITION INCLUDING OLEOSOMES GALDERMA RES & DEV (FR) 2019-04-17 EP disclosed
EP-0418443-A1 Waterproof sunscreen NEUTROGENA CORPORATION (US) 1991-03-27 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-20100047197-A1 COSMETIC FORMULATION CONTANING GLUCOSYL GLYCERIDES AND UREA UGCG, UGGT1, GLA ALDH1A1 1038/4885LMNA 1629/4885MAPK1 4311/4885

“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.