Octocrylene

Octocrylene

SCHEMBL3158652

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

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.81
LMNA P02545 3/20 0.81
MAPK1 P28482 3/20 0.81
CYP3A4 P08684 4/20 0.58
CA2 P00918 1/20 0.58
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
TSHR P16473 6/20 0.48
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 5/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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 SCHEMBL28468920 0.94 LMNA (0.72) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL3216088 0.93 ALDH1A1 (0.82) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL38659364 0.90 ALDH1A1 (0.71) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL16483 0.90 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL1769135 0.90 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL28123035 0.89 ALDH1A1 (0.98) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL19583477 0.88 ALDH1A1 (0.95) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL29169910 0.87 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL16806267 0.87 ALDH1A1 (0.89) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL818975 0.87 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474099-B1 LOW-VISCOSITY, SPRAYABLE W/O EMULSIONS BEIERSDORF AG (DE) 2009-09-09 EP claimed
EP-1474099-A1 LOW-VISCOSITY, SPRAYABLE W/O EMULSIONS Beiersdorf AG (DE) 2004-11-10 EP claimed
EP-1443884-A1 COSMETIC OR DERMATOLOGICAL IMPREGNATED TISSUES Beiersdorf AG (DE) 2004-08-11 EP claimed
WO-2003039492-A1 COSMETIC OR DERMATOLOGICAL IMPREGNATED TISSUES BEIERSDORF AG (DE) 2003-05-15 WO claimed
WO-2003039508-A1 LOW-VISCOSITY, SPRAYABLE W/O EMULSIONS BEIERSDORF AG (DE) 2003-05-15 WO claimed
EP-2925293-B1 TETRACYCLINE TOPICAL FORMULATIONS, PREPARATION AND USES THEREOF HOVIONE SCIENTIA LTD (IE) 2017-08-02 EP disclosed
US-20170182071-A1 TETRACYCLINE TOPICAL FORMULATIONS, PREPARATION AND USES THEREOF IN TREATING AN OCULAR CONDITION HOVIONE INTERNATIONAL LTD. (HK) 2017-06-29 US disclosed
US-9592246-B2 Tetracycline topical formulations, preparation and uses thereof HOVIONE INTERNATIONAL LTD. (HK) 2017-03-14 US disclosed
EP-2925293-A1 TETRACYCLINE TOPICAL FORMULATIONS, PREPARATION AND USES THEREOF Hovione Scientia Limited (IE) 2015-10-07 EP disclosed
WO-2014083311-A1 TETRACYCLINE TOPICAL FORMULATIONS, PREPARATION AND USES THEREOF HOVIONE INTERNATIONAL LTD (CN) 2014-06-05 WO disclosed
US-20140147504-A1 TETRACYCLINE TOPICAL FORMULATIONS, PREPARATION AND USES THEREOF HOVIONE INTERNATIONAL LTD. (HK) 2014-05-29 US disclosed
EP-1669061-B9 Foam forming systems devoid of propellant gas, the production as well as the cosmetic, dermatological and hygienical use thereof MERZ PHARMA GMBH & CO KGAA (DE) 2010-03-10 EP disclosed
EP-1669061-B1 Foam forming systems devoid of propellant gas, the production as well as the cosmetic, dermatological and hygienical use thereof MERZ PHARMA GMBH & CO KGAA (DE) 2009-11-18 EP disclosed
EP-1752137-A2 Hydrophilic or ambiphilic bases and compositions Merz Pharma GmbH & Co.KGaA (DE) 2007-02-14 EP disclosed
EP-1669061-A1 Foam forming systems devoid of propellant gas, the production as well as the cosmetic, dermatological and hygienical use thereof Merz Pharma GmbH & Co. KGaA (DE) 2006-06-14 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 (2 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-20140147504-A1 TETRACYCLINE TOPICAL FORMULATIONS, PREPARATION AND USES THEREOF TET1, TUBB6, TET3 ALDH1A1 3674/4885LMNA 2039/4885MAPK1 3189/4885
US-20170182071-A1 TETRACYCLINE TOPICAL FORMULATIONS, PREPARATION AND USES THEREOF IN TREATING AN OCULAR CONDITION TCOF1, SHH, TUBB6 ALDH1A1 3532/4885LMNA 2127/4885MAPK1 2654/4885

“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.