SCHEMBL2893016

SCHEMBL2893016

CCC(CCCCC(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.68
MAPK1 P28482 1/20 0.68
BLM P54132 1/20 0.47
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A2 P43004 4/20 0.46
SLC1A1 P43005 4/20 0.46
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
SLC1A3 P43003 3/20 0.44

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
SCHEMBL4624195 0.98 CA2 (0.65) CA2MAPK1BLMCHRM1AKR1A1
SCHEMBL5879040 0.98 CA2 (0.65) CA2MAPK1BLMCHRM1AKR1A1
SCHEMBL5878864 0.98 CA2 (0.65) CA2MAPK1BLMCHRM1AKR1A1
SCHEMBL10816802 0.98 CA2 (0.65) CA2MAPK1BLMCHRM1AKR1A1
SCHEMBL6363268 0.98 CA2 (0.65) CA2MAPK1BLMCHRM1AKR1A1
SCHEMBL28744317 0.98 CA2 (0.65) CA2MAPK1BLMCHRM1AKR1A1
SCHEMBL5878849 0.98 CA2 (0.65) CA2MAPK1BLMCHRM1AKR1A1
SCHEMBL8028607 0.98 CA2 (0.65) CA2MAPK1BLMCHRM1AKR1A1
SCHEMBL7782170 0.98 CA2 (0.65) CA2MAPK1BLMCHRM1AKR1A1
SCHEMBL1509190 0.95 CA2 (0.68) CA2MAPK1BLMCHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12053537-B2 Reduction of stinging sensation on skin SYMRISE AG (DE) 2024-08-06 US disclosed
US-20230101832-A1 STABLE, LIQUID EMULSIFIERS ON THE BASIS OF CITRATE ESTERS AND THEIR USE SYMRISE AG (DE) 2023-03-30 US disclosed
CN-112739804-A Fabric softener composition 塔明克公司 2021-04-30 CN disclosed
EP-3373895-A1 REDUCTION OF STINGING SENSATION ON SKIN Symrise AG (DE) 2018-09-19 EP disclosed
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES SYMRISE AG (DE) 2018-07-05 US disclosed
US-9820923-B2 Succinate derivatives SYMRISE AG (DE) 2017-11-21 US disclosed
WO-2017080625-A1 REDUCTION OF STINGING SENSATION ON SKIN SYMRISE AG (DE) 2017-05-18 WO disclosed
US-9585388-B2 Synergistically acting ternary antimicrobial mixtures SYMRISE AG (DE) 2017-03-07 US disclosed
US-20160128923-A1 New Succinate Derivatives SYMRISE AG (DE) 2016-05-12 US disclosed
US-20160008297-A1 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) 2016-01-14 US disclosed
US-9125936-B2 Ginger extract for the protection of stem cells SYMRISE AG (DE) 2015-09-08 US disclosed
US-9060943-B2 Compositions comprising trans-tert-butyl cyclohexanol as skin irritation-reducing agent SYMRISE AG (DE) 2015-06-23 US disclosed
US-8951507-B2 Formulation with irritation reducing action comprising bisabolol and [6]-paradol SYMRISE AG (DE) 2015-02-10 US disclosed
US-20140242020-A1 Ginger Extract for the Protection of Stem Cells SYMRISE AG (DE) 2014-08-28 US disclosed
US-20130136709-A1 SYNERGISTICALLY ACTING TERNARY ANTIMICROBIAL MIXTURES SYMRISE AG (DE) 2013-05-30 US disclosed
US-8354128-B2 Blackberry leaf extract as an active ingredient against skin irritations and inflammations SYMRISE AG (DE) 2013-01-15 US disclosed
US-20120258058-A1 FORMULATION WITH IRRITATION REDUCING ACTION COMPRISING BISABOLOL AND [6]-PARADOL SYMRISE AG (DE) 2012-10-11 US disclosed
US-20120121737-A1 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT SYMRISE AG (DE) 2012-05-17 US disclosed
US-20100286102-A1 Formulations comprising ceramides and/or pseudoceramides and (alpha-)bisabolol for combating skin damage SYMRISE GMBH & CO. KG (DE) 2010-11-11 US disclosed
US-20100239695-A1 BLACKBERRY LEAF EXTRACT AS AN ACTIVE INGREDIENT AGAINST SKIN IRRITATIONS AND INFLAMMATIONS SYMRISE GMBH & CO. KG (DE) 2010-09-23 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 (9 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-20100286102-A1 Formulations comprising ceramides and/or pseudoceramides and (alpha-)bisabolol for combating skin damage CERT1, CERS2, SGMS1 CA2 1247/4885MAPK1 3348/4885BLM 4337/4885
US-12053537-B2 Reduction of stinging sensation on skin STING1, TYR, CUTA CA2 775/4885MAPK1 3689/4885BLM 2507/4885
US-20120258058-A1 FORMULATION WITH IRRITATION REDUCING ACTION COMPRISING BISABOLOL AND [6]-PARADOL FHIT, DAGLA, TRPV1 CA2 2807/4885MAPK1 3384/4885BLM 1673/4885
US-20160008297-A1 COMPOUNDS FOR PREVENTING, REDUCING AND/OR ALLEVIATING ITCHY SKIN CONDITION(S) TRPV2, TRPV1, TRPM2 CA2 150/4885MAPK1 1528/4885BLM 3874/4885
US-20140242020-A1 Ginger Extract for the Protection of Stem Cells HSD11B1, HSD3B1, EBP CA2 4746/4885MAPK1 2198/4885BLM 1972/4885
US-20120121737-A1 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT TERT, CUTA, TRPA1 CA2 4440/4885MAPK1 2452/4885BLM 1231/4885
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES PARG, PARN, TRPV1 CA2 557/4885MAPK1 3682/4885BLM 2130/4885
US-20160128923-A1 New Succinate Derivatives SUCNR1, SDHB, SDHA CA2 1024/4885MAPK1 3584/4885BLM 4184/4885
US-20230101832-A1 STABLE, LIQUID EMULSIFIERS ON THE BASIS OF CITRATE ESTERS AND THEIR USE ACADM, ACACB, CS CA2 196/4885MAPK1 3909/4885BLM 3048/4885

“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.