SCHEMBL17847283

SCHEMBL17847283

COC1CC(C(C)C)CCC1(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
OPRL1 P41146 6/20 0.35
OPRM1 P35372 5/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.33
MAOA P21397 1/20 0.33
CYP2D6 P10635 1/20 0.32
KCNA3 P22001 1/20 0.31
TACR1 P25103 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 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
SCHEMBL11880210 0.87 OPRL1 (0.37) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL5244042 0.78 OPRL1 (0.39) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL337274 0.77 KDM1A (0.40) OPRL1KDM1AMAOBMAOA
SCHEMBL16244242 0.71 GPBAR1 (0.34) DPP4OPRL1OPRM1OPRD1OPRK1
SCHEMBL8675186 0.71 OPRL1 (0.35) OPRL1KDM1AMAOBMAOA
SCHEMBL24322076 0.67 SLC6A4 (0.38) OPRL1OPRM1KDM1AMAOBMAOA
SCHEMBL908950 0.66 OPRL1 (0.36) OPRL1OPRM1CYP2D6SLC6A2SLC6A4
Benzene SCHEMBL28198346 0.66 OPRL1 (0.36) OPRL1OPRM1CYP2D6SLC6A2SLC6A4
SCHEMBL4647455 0.65
SCHEMBL10389478 0.65 DPP4 (0.41) DPP4OPRL1OPRM1OPRK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11246810-B2 Sprayable cosmetic agent II HENKEL AG & CO. KGAA (DE) 2022-02-15 US disclosed
EP-3233046-B1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT OREAL (FR) 2020-07-29 EP disclosed
EP-3600230-A1 SPRAYABLE COSMETIC AGENT II Henkel AG & Co. KGaA (DE) 2020-02-05 EP disclosed
US-10548833-B2 Use of a combination of an associative nonionic polyether polyurethane and a cyclohexanol derivative as a skin refreshing agent L'OREAL (FR) 2020-02-04 US disclosed
US-20200030196-A1 SPRAYABLE COSMETIC AGENT II HENKEL AG & CO. KGAA (DE) 2020-01-30 US disclosed
WO-2018177721-A1 SPRAYABLE COSMETIC AGENT II HENKEL AG & CO. KGAA (DE) 2018-10-04 WO disclosed
US-20170367965-A1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT L'OREAL (FR) 2017-12-28 US disclosed
EP-3233046-A1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT L'Oréal (FR) 2017-10-25 EP disclosed
WO-2016096928-A1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT L'OREAL (FR) 2016-06-23 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 (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-10548833-B2 Use of a combination of an associative nonionic polyether polyurethane and a cyclohexanol derivative as a skin refreshing agent CUTA, DEGS1, OR51E2 DPP4 4785/4885OPRL1 484/4885OPRM1 531/4885
US-20170367965-A1 USE OF A COMBINATION OF AN ASSOCIATIVE NONIONIC POLYETHER POLYURETHANE AND A CYCLOHEXANOL DERIVATIVE AS A SKIN REFRESHING AGENT CUTA, DEGS1, OR51E2 DPP4 4785/4885OPRL1 484/4885OPRM1 531/4885

“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.