SCHEMBL580416

SCHEMBL580416

CCOC(=O)CNC(=O)C1(C)CCC(C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
GAA P10253 3/20 0.39
PPID Q08752 4/20 0.37
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPIG Q13427 1/20 0.37
CTSS P25774 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NLRP3 Q96P20 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4313621 0.81 MME (0.39) NR1H4
SCHEMBL11427402 0.81 EPHX2 (0.40) EPHX2GAAPPIDPPIBPPIA
SCHEMBL11427404 0.81 EPHX2 (0.40) EPHX2GAAPPIDPPIBPPIA
SCHEMBL1249220 0.81 ALDH1A1 (0.37) GAA
SCHEMBL4894476 0.80 PRMT1 (0.32) SMN1; SMN2
SCHEMBL4897136 0.80 OPRL1 (0.31) GAA
SCHEMBL11038014 0.79 GAA (0.45) EPHX2GAAPPIDPPIBPPIA
SCHEMBL4899386 0.79 METAP2 (0.38) TSHR
SCHEMBL2700331 0.77 BRD4 (0.35) TSHRSMN1; SMN2
SCHEMBL2702145 0.77 BRD4 (0.35) TSHRSMN1; SMN2

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210045983-A1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2021-02-18 US claimed
EP-3773445-A1 RETINOL REPLACEMENT IN SKIN TREATMENT Symrise AG (DE) 2021-02-17 EP claimed
WO-2019185923-A1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2019-10-03 WO claimed
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US claimed
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES SYMRISE AG (DE) 2018-07-05 US claimed
EP-3108941-A1 COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES Symrise AG (DE) 2016-12-28 EP claimed
EP-2887929-A2 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) Symrise AG (DE) 2015-07-01 EP claimed
WO-2012143576-A2 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) SYMRISE AG (DE) 2012-10-26 WO claimed
EP-2416766-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT Symrise AG (DE) 2012-02-15 EP claimed
WO-2009087242-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT SYMRISE GMBH & CO. KG (DE) 2009-07-16 WO claimed
US-20240000746-A1 New Cooling Agents and Preparations Containing Them SYMRISE AG (DE) 2024-01-04 US disclosed
US-11801210-B2 Retinol replacement in skin treatment SYMRISE AG (DE) 2023-10-31 US disclosed
EP-4247791-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2023-09-27 EP disclosed
US-20230190633-A1 A WHEAT BRAN EXTRACT IN A HAIR CARE BLEND SYMRISE AG (DE) 2023-06-22 US disclosed
US-11596150-B2 Long chain glycolipids useful to avoid perishing or microbial contamination of materials IMD NATURAL SOLUTIONS GMB (DE) 2023-03-07 US disclosed
EP-2416766-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT Symrise AG (DE) 2012-02-15 EP disclosed
WO-2010149798-A2 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT SYMRISE AG (DE) 2010-12-29 WO disclosed
WO-2009087242-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT SYMRISE GMBH & CO. KG (DE) 2009-07-16 WO disclosed
US-20080175800-A1 USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-07-24 US disclosed
US-20080096969-A1 N alpha-(Menthanecarbonyl)amino acid amides and use thereof as physiological cooling active ingredients SYMRISE GMBH & CO. KG (DE) 2008-04-24 US 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 (8 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-11596150-B2 Long chain glycolipids useful to avoid perishing or microbial contamination of materials LPO, PLIN1, PLIN3 EPHX2 3114/4885GAA 566/4885PPID 2316/4885
US-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH EPHX2 2306/4885GAA 1830/4885PPID 1589/4885
US-20210045983-A1 RETINOL REPLACEMENT IN SKIN TREATMENT RBP1, RBP4, LRAT EPHX2 1089/4885GAA 1493/4885PPID 1758/4885
US-11801210-B2 Retinol replacement in skin treatment RBP1, RBP4, LRAT EPHX2 1124/4885GAA 1295/4885PPID 1516/4885
US-20240000746-A1 New Cooling Agents and Preparations Containing Them TTPA, TREH, TAS2R45 EPHX2 1975/4885GAA 2325/4885PPID 3040/4885
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES PARG, PARN, TRPV1 EPHX2 467/4885GAA 3560/4885PPID 1166/4885
US-20080096969-A1 N alpha-(Menthanecarbonyl)amino acid amides and use thereof as physiological cooling active ingredients NMBR, RIMKLA, NAAA EPHX2 2541/4885GAA 2266/4885PPID 888/4885
US-20080175800-A1 USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES ECI1, OTC, MDH2 EPHX2 116/4885GAA 3669/4885PPID 817/4885

“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.