SCHEMBL4449776

SCHEMBL4449776

C[CH]CCCC(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.36
ACE2 Q9BYF1 1/20 0.33
MAPT P10636 1/20 0.31
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 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
SCHEMBL4448859 0.93 LMNA (0.40) TSHRLMNAACE2MAPTPRKD3
SCHEMBL21293885 0.91 ACE2 (0.39) TSHRLMNAACE2PRKD3PRKCG
SCHEMBL4449766 0.90 ACE2 (0.38) TSHRLMNAACE2MAPTPRKD3
SCHEMBL102559 0.90
SCHEMBL10528855 0.88 ACE2 (0.45) LMNAACE2MAPTPRKD3PRKCG
SCHEMBL1463600 0.86 ACE2 (0.48) TSHRLMNAACE2PRKD3PRKCG
SCHEMBL28154757 0.86 ACE2 (0.48) TSHRLMNAACE2PRKD3PRKCG
SCHEMBL28845556 0.86 ACE2 (0.48) TSHRLMNAACE2PRKD3PRKCG
SCHEMBL28153758 0.86 ACE2 (0.48) TSHRLMNAACE2PRKD3PRKCG
SCHEMBL28270184 0.86 ACE2 (0.48) TSHRLMNAACE2PRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255059-B2 Method for producing an alkyl 3-hydroxybutyrate EASTMAN CHEMICAL COMPANY (US) 2016-02-09 US claimed
US-9249378-B2 Aqueous cleaning compositions having enhanced properties EASTMAN CHEMICAL COMPANY (US) 2016-02-02 US claimed
US-20150038734-A1 METHOD FOR PRODUCING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEMICAL COMPANY (US) 2015-02-05 US claimed
CN-115052875-B 4- (4, 5-Dihydroisoxazol-3-yl) thiazol-2-yl) piperidine-thioimine or sulphoxide-imine derivatives and related compounds as fungicides for crop protection PI工业有限公司 2024-07-12 CN disclosed
CN-112004813-B Oxadiazole compounds for controlling phytopathogenic fungi PI工业有限公司 2024-03-29 CN disclosed
CN-111670186-B Pyrazolopyridine-diamides, their use as pesticides and process for their preparation PI工业有限公司 2023-10-17 CN disclosed
CN-112469687-B New method for preparing o-carboxamido benzamide compound PI工业有限公司 2023-10-13 CN disclosed
US-20230317953-A1 COATED NEGATIVE ELECTRODE ACTIVE MATERIAL PARTICLES FOR LITHIUM ION BATTERIES, NEGATIVE ELECTRODE FOR LITHIUM ION BATTERIES, LITHIUM ION BATTERY, AND METHOD FOR PRODUCING COATED NEGATIVE ELECTRODE ACTIVE MATERIAL PARTICLES FOR LITHIUM ION BATTERIES APB CORPORATION (JP) 2023-10-05 US disclosed
EP-4203099-A1 COATED NEGATIVE ELECTRODE ACTIVE MATERIAL PARTICLES FOR LITHIUM ION BATTERIES, NEGATIVE ELECTRODE FOR LITHIUM ION BATTERIES, LITHIUM ION BATTERY, AND METHOD FOR PRODUCING COATED NEGATIVE ELECTRODE ACTIVE MATERIAL PARTICLES FOR LITHIUM ION BATTERIES APB Corporation (JP) 2023-06-28 EP disclosed
CN-110574195-B Binder for lithium ion electrode, electrode for lithium ion battery, and method for producing electrode for lithium ion battery 三洋化成工业株式会社 2023-03-31 CN disclosed
US-20230033163-A1 COATED POSITIVE ELECTRODE ACTIVE MATERIAL PARTICLES FOR A LITHIUM-ION BATTERY, POSITIVE ELECTRODE FOR A LITHIUM-ION BATTERY, AND PRODUCTION METHOD OF COATED POSITIVE ELECTRODE ACTIVE MATERIAL PARTICLES FOR A LITHIUM-ION BATTERY APB CORPORATION (JP) 2023-02-02 US disclosed
EP-0889057-B1 Process for hydrogenating conjugated diene polymer ASAHI CHEMICAL IND (JP) 2003-01-08 EP disclosed
CN-1364161-A N-substituted perhydrodiazines BASF AG (DE) 2002-08-14 CN disclosed
CN-1362950-A Substituted ureas BASF AG (DE) 2002-08-07 CN disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
US-5886108-A Process for hydrogenating conjugated diene polymer ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1999-03-23 US disclosed
EP-0889057-A1 Process for hydrogenating conjugated diene polymer ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1999-01-07 EP 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 (1 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-20150038734-A1 METHOD FOR PRODUCING AN ALKYL 3-HYDROXYBUTYRATE HSD17B10, ABAT, HSD17B12 TSHR 2999/4885LMNA 3157/4885ACE2 3020/4885

“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.