Octisalate

Octisalate

SCHEMBL1946017

CCCCC(CC)COC(=O)c1ccccc1O.CCCCCCCCOc1ccccc1C(=O)O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.73
PRSS1 P07477 1/20 0.63
PRSS2 P07478 1/20 0.63
PRSS3 P35030 1/20 0.63
ALDH1A1 P00352 7/20 0.62
CYP3A4 P08684 4/20 0.62
CA2 P00918 1/20 0.62
TSHR P16473 3/20 0.48
MAPK1 P28482 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
MAPT P10636 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PTPN11 Q06124 1/20 0.47

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
Octisalate SCHEMBL29428934 1.00 LMNA (0.73) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL5670019 0.93 LMNA (0.65) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL29500373 0.93 LMNA (0.65) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL4167259 0.89 PRSS1 (0.74) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL6023812 0.88 LMNA (0.86) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL6853192 0.88 LMNA (0.90) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL20395019 0.88 LMNA (0.90) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL29637131 0.86 LMNA (0.68) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL29922922 0.86 ALDH1A1 (0.63) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL29390937 0.86 ALDH1A1 (0.63) LMNAALDH1A1CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130704-A1 COMBINATION OF A LIGHT RAY AND A LIPASE-BIOCONVERTIBLE COMPOUND FOR IMPROVING SKIN AND/OR HAIR APPEARANCE L'OREAL (FR) 2011-06-02 US disclosed
US-20060104940-A1 Cosmetic, pharmaceutical and dermatological preparations comprising copolymer waxes CLARIANT GMBH 2006-05-18 US disclosed
EP-1324821-A2 EMULSION COMPRISING A BLEND OF CATIONIC, ANIONIC AND BRIDGING SURFACTANS, OIL AND WATER STEPAN COMPANY (US) 2003-07-09 EP disclosed
EP-1318720-A2 ANTIMICROBIAL TERNARY SURFACTANT BLEND COMPRISING CATIONIC, ANIONIC, AND BRIDGING SURFACTANTS, AND METHODS OF PREPARING SAME STEPAN COMPANY (US) 2003-06-18 EP disclosed
WO-2002022083-A2 EMULSION COMPRISING A BLEND OF CATIONIC, ANIONIC AND BRIDGING SURFACTANTS, OIL AND WATER STEPAN COMPANY (US) 2002-03-21 WO disclosed
WO-2002021916-A2 ANTIMICROBIAL TERNARY SURFACTANT BLEND COMPRISING CATIONIC, ANIONIC, AND BRIDGING SURFACTANTS, AND METHODS OF PREPARING SAME STEPAN COMPANY (US) 2002-03-21 WO disclosed
EP-0814760-A1 SUBSTITUTED o-AMINOCARBONYLBENZOIC ACID SALTS AND THEIR USE AS SUNSCREENS STEPAN COMPANY (US) 1998-01-07 EP disclosed
WO-1997025971-A1 SUBSTITUTED o-AMINOCARBONYLBENZOIC ACID SALTS AND THEIR USE AS SUNSCREENS STEPAN COMPANY (US) 1997-07-24 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-20060104940-A1 Cosmetic, pharmaceutical and dermatological preparations comprising copolymer waxes CUTA, ACMSD, DEGS1 LMNA 3707/4885PRSS1 2629/4885PRSS2 3397/4885

“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.