SCHEMBL1088091

SCHEMBL1088091

O=C(CCO)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
EPHX1 P07099 2/20 0.40
HSD11B1 P28845 4/20 0.37
RECQL P46063 1/20 0.35
HSD11B2 P80365 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL28176437 0.84 EPHX1 (0.43) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL792325 0.84 EPHX1 (0.43) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL5443541 0.81 CES2 (0.52) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL3955263 0.81 CES2 (0.52) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL7714802 0.80 CES2 (0.43) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL2400052 0.80 ALDH1A1 (0.50) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL9483721 0.80 CES2 (0.46) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL10975907 0.80 CES2 (0.46) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL4813468 0.80 CES2 (0.46) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL3990546 0.80 HPGD (0.53) CES2CES1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118984825-A Novel cooling agent and preparation containing same 西姆莱斯股份公司 2024-11-19 CN claimed
EP-4452941-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-10-30 EP claimed
CN-116685575-A Novel cooling substances and formulations containing these cooling substances 西姆莱斯股份公司 2023-09-01 CN claimed
WO-2023117119-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-06-29 WO claimed
CN-118984825-A Novel cooling agent and preparation containing same 西姆莱斯股份公司 2024-11-19 CN disclosed
EP-4452941-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-10-30 EP disclosed
US-20240175022-A1 RUNX1 Inhibition for Treatment of Proliferative Vitreoretinopathy and Conditions Associated with Epithelial to Mesenchymal Transition MASSACHUSETTS EYE AND EAR INFIRMARY 2024-05-30 US disclosed
CN-112384077-B Solubilization of poorly soluble Cooling Material 西姆莱斯有限公司 2024-03-08 CN disclosed
US-20230406813-A1 P62-ZZ CHEMICAL INHIBITOR UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-12-21 US disclosed
US-20230277454-A1 NANO-EMULSION OF CBFß-RUNX1 INHIBITOR FOR OCULAR DRUG DELIVER MASSACHUSETTS EYE AND EAR INFIRMARY 2023-09-07 US disclosed
CN-116685575-A Novel cooling substances and formulations containing these cooling substances 西姆莱斯股份公司 2023-09-01 CN disclosed
US-11739326-B2 RUNX1 inhibition for treatment of proliferative vitreoretinopathy and conditions associated with epithelial to mesenchymal transition MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2023-08-29 US disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014925-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2006136562-A1 HETEROCYCLYLAMINOALKYL SUBSTITUTED BENZIMIDAZOLES TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 WO disclosed
WO-2006136563-A1 2-SUBSTITUTED BENZIMIDAZOLES TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 WO disclosed
WO-2006136561-A1 1- ( 2-AMINO-3- (SUBSTITUTED ALKYL)-3H-BENZIMIDAZOIYLMETHYL) -3-SUBTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES WITH ACTIVITY ON RESPIRATORY SYNCYTIAL VIRUS TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 WO disclosed
WO-2006097534-A1 1,3-DIHYDRO-BENZIMIDAZOL-2-YLIDENE AMINES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD (IE) 2006-09-21 WO disclosed
WO-2006072636-A2 1, 5, 6-SUBSTITUTED-2-OXO-3-CYANO-1, 6A-DIAZA-TETRAHYDRO-FLUORANTHENES AS ANTI-INFECTIVE AGENTS TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-07-13 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 (4 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-20240175022-A1 RUNX1 Inhibition for Treatment of Proliferative Vitreoretinopathy and Conditions Associated with Epithelial to Mesenchymal Transition RUNX1, CXCL12, MITF CES2 4883/4885CES1 4754/4885HDAC8 1131/4885
US-20230406813-A1 P62-ZZ CHEMICAL INHIBITOR SQSTM1, CTSZ, BECN1 CES2 4839/4885CES1 3807/4885HDAC8 572/4885
US-11739326-B2 RUNX1 inhibition for treatment of proliferative vitreoretinopathy and conditions associated with epithelial to mesenchymal transition RUNX1, CXCL12, MITF CES2 4883/4885CES1 4744/4885HDAC8 1145/4885
US-20230277454-A1 NANO-EMULSION OF CBFß-RUNX1 INHIBITOR FOR OCULAR DRUG DELIVER RUNX1, CBFB, IKZF1 CES2 4590/4885CES1 2961/4885HDAC8 2014/4885

“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.