SCHEMBL1153388

SCHEMBL1153388

CCC(C)(C)C1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
CNR2 P34972 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2777600 1.00 SHBG (0.39) SHBGKDM4EGAAALDH1A1MAPT
SCHEMBL1162181 1.00 SHBG (0.39) SHBGKDM4EGAAALDH1A1MAPT
SCHEMBL2151480 0.87
SCHEMBL19242729 0.86 CNR2 (0.35) SHBGKDM4ELMNACNR2
SCHEMBL26109640 0.80 SHBG (0.34) SHBGTSHR
SCHEMBL14527695 0.80 KDM4E (0.39) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL11458812 0.80 SHBG (0.39) SHBGTSHR
SCHEMBL9815775 0.80 SHBG (0.39) SHBGTSHR
SCHEMBL25910486 0.79 KDM4E (0.37) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL8708681 0.78 SHBG (0.33) SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4096618-B1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2025-01-29 EP claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN claimed
EP-4096618-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2022-12-07 EP claimed
US-20220364016-A1 PERFUME OIL MIXTURE SYMRISE AG (DE) 2022-11-17 US claimed
WO-2022122143-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2022-06-16 WO claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR WELLA OPERATIONS US, LLC 2019-06-27 US claimed
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 US claimed
WO-2016049395-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090556-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049404-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049394-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090557-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20150250911-A1 MALODOR COUNTERACTING COMPOSITIONS Givaudan, S.A. (CH) 2015-09-10 US claimed
EP-2908797-A2 MALODOR COUNTERACTING COMPOSITIONS Givaudan SA (CH) 2015-08-26 EP claimed
WO-2014064101-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-05-01 WO claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed

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-20150250911-A1 MALODOR COUNTERACTING COMPOSITIONS C3AR1, OR10J3, C5 SHBG 3041/4885KDM4E 2721/4885GAA 4697/4885
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR MAL2, MSH6, OR51E2 SHBG 900/4885KDM4E 1406/4885GAA 3495/4885

“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.