SCHEMBL2452485

SCHEMBL2452485

CCC(=O)OC1CCCC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
EPHX1 P07099 1/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL19830971 1.00 NAAA (0.40) NAAACYP2C19CHRM2CHRM4CHRM1
SCHEMBL28208008 0.87 NAAA (0.49) NAAACYP2C19EPHX1HTTSCN9A
SCHEMBL27858518 0.86 CYP2C19 (0.40) NAAACYP2C19EPHX1HTTSCN9A
SCHEMBL8052216 0.85 CYP2C19 (0.39) NAAACYP2C19EPHX1HTTSCN9A
SCHEMBL6334628 0.83 CYP2C19 (0.38) NAAACYP2C19EPHX1HTTSCN9A
SCHEMBL6327829 0.83 MGAM (0.44) NAAACYP2C19EPHX1SCN9AKMT2A
SCHEMBL31412819 0.83 MGAM (0.44) NAAACYP2C19EPHX1SCN9AKMT2A
SCHEMBL17987658 0.83 CYP2C19 (0.56) NAAACYP2C19CHRM2CHRM4CHRM1
Acetic Acid SCHEMBL27875197 0.82 CYP2C19 (0.37) NAAACYP2C19HTTSCN9ASMN1; SMN2
SCHEMBL28077322 0.81 NAAA (0.39) NAAACYP2C19CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11752078-B2 Oil-in-water emulsions containing 4-hydroxyacetophenone and anionic emulsifiers SYMRISE AG (DE) 2023-09-12 US disclosed
EP-2723312-B2 TAPIOCA STARCH IN COSMETIC PREPARATIONS CONTAINING SILICONE ELASTOMER BEIERSDORF AG (DE) 2020-03-18 EP disclosed
EP-2364688-B1 Cosmetic preparations with highly elastic texture BEIERSDORF AG (DE) 2019-07-24 EP disclosed
US-20180243189-A1 Oil-in-Water Emulsions Containing 4-Hydroxyacetophenone and Anionic Emulsifiers SYMRISE AG (DE) 2018-08-30 US disclosed
EP-3122316-B1 OIL-IN-WATER EMULSIONS CONTAINING 4-HYDROXYACETOPHENONE AND ANIONIC EMULSIFIERS SYMRISE AG (DE) 2018-06-27 EP disclosed
EP-3275962-A1 METHYL MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION CONTAINING SAME Takasago International Corporation (JP) 2018-01-31 EP disclosed
EP-2723312-B1 TAPIOCA STARCH IN COSMETIC PREPARATIONS CONTAINING SILICONE ELASTOMER BEIERSDORF AG (DE) 2017-10-04 EP disclosed
EP-2549976-B1 SKIN-FRIENDLY ACTIVE INGREDIENT COMBINATION TO COMBAT ACNE BEIERSDORF AG (DE) 2016-11-23 EP disclosed
EP-2773310-A1 COSMETIC PREPARATION COMPRISING PULVERISED SUBSTANCES FOR IMPROVING PERFUME ADHESION Beiersdorf AG (DE) 2014-09-10 EP disclosed
EP-2717970-A2 POLYETHYLENE GLYCOL-FREE COSMETIC OR DERMATOLOGICAL PREPARATIONS Beiersdorf AG (DE) 2014-04-16 EP disclosed
EP-2717968-A2 COSMETIC AND DERMATOLOGICAL EMULSION PREPARATIONS WITH IMPROVED PERFUME RELEASE Beiersdorf AG (DE) 2014-04-16 EP disclosed
EP-2627414-A2 MICROBIOLOGICALLY STABLE, EASILY APPLICABLE PREPARATIONS COMPRISING ACTIVE SUBSTANCES SUSCEPTIBLE TO DEGRADATION Beiersdorf AG (DE) 2013-08-21 EP disclosed
US-20130158130-A1 POLYMER COMBINATIONS FOR COSMETIC PREPARATIONS BEIERSDORF AG (DE) 2013-06-20 US disclosed
WO-2013064609-A1 COSMETIC PREPARATION COMPRISING PULVERISED SUBSTANCES FOR IMPROVING PERFUME ADHESION BEIERSDORF AG (DE) 2013-05-10 WO disclosed
WO-2012167905-A2 POLYETHYLENE GLYCOL-FREE COSMETIC OR DERMATOLOGICAL PREPARATIONS BEIERSDORF AG (DE) 2012-12-13 WO disclosed
WO-2012167900-A2 COSMETIC AND DERMATOLOGICAL EMULSION PREPARATIONS WITH IMPROVED PERFUME RELEASE BEIERSDORF AG (DE) 2012-12-13 WO disclosed
WO-2011124244-A2 MICROBIOLOGICALLY STABLE, EASILY APPLICABLE PREPARATIONS COMPRISING ACTIVE SUBSTANCES SUSCEPTIBLE TO DEGRADATION BEIERSDORF AG (DE) 2011-10-13 WO disclosed
EP-2364688-A2 Cosmetic preparations with highly elastic texture Beiersdorf AG (DE) 2011-09-14 EP disclosed
EP-2221045-A1 Skin care formulations with an immediate tautening effect Beiersdorf AG (DE) 2010-08-25 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-11752078-B2 Oil-in-water emulsions containing 4-hydroxyacetophenone and anionic emulsifiers HSD17B10, GNPAT, HSD17B4 NAAA 1049/4885CYP2C19 143/4885CHRM2 2787/4885
US-20180243189-A1 Oil-in-Water Emulsions Containing 4-Hydroxyacetophenone and Anionic Emulsifiers HSD17B10, GNPAT, HSD17B4 NAAA 1049/4885CYP2C19 143/4885CHRM2 2787/4885

“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.