SCHEMBL1005943

SCHEMBL1005943

CC(C)CNCCNCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
ANPEP P15144 1/20 0.39
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
EPHX1 P07099 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
SCHEMBL5038379 0.96 ADH1B (0.43) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL4920164 0.96 ADH1B (0.43) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL4919942 0.96 ADH1B (0.43) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL3318903 0.87
SCHEMBL18460374 0.87 CYP2C19 (0.43) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL2478778 0.86 HRH4 (0.42) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL9624660 0.86 HRH4 (0.47) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL23189474 0.85 ADH1B (0.36) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL22813889 0.85 ADH1B (0.36) ADH1BADH1CADH1ACYP2C19ALDH1A1
SCHEMBL22885634 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529648-B2 Self-healing laminate composition, related articles and related methods BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2022-12-20 US claimed
US-11396574-B2 Self-healing, self-cleaning omniphobic composition, related articles and related methods BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2022-07-26 US claimed
US-20220040730-A1 SELF-HEALING LAMINATE COMPOSITION, RELATED ARTICLES AND RELATED METHODS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2022-02-10 US claimed
US-20220041787-A1 SELF-HEALING, SELF-CLEANING OMNIPHOBIC COMPOSITION, RELATED ARTICLES AND RELATED METHODS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2022-02-10 US claimed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
US-7741478-B2 Salts in the preparation of cephalosporin antibiotics ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-06-22 US claimed
US-20080306256-A1 Salts in the Preparation of Cephalosporin Antibiodies ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-12-11 US claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
EP-1765833-A2 NEWS SALTS IN THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS Orchid Chemicals and Pharmaceuticals Limited (IN) 2007-03-28 EP claimed
WO-2006006040-A2 NEWS DIAMINE SALTS OF CEPHALOSPORIN ANTIBIOTICS AND THEIR PREPARATION ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-01-19 WO claimed
US-5093455-A Storage stability TEXACO CHEMICAL COMPANY (US) 1992-03-03 US claimed
US-20250343042-A1 DIFFUSING AGENT COMPOSITION, AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO LTD (JP) 2025-11-06 US disclosed
WO-2024156770-A1 PLATING BATH COMPOSITION FOR PLATING OF PRECIOUS METAL AND A METHOD FOR DEPOSITING A PRECIOUS METAL LAYER Atotech Deutschland GmbH & Co. KG (DE) 2024-08-02 WO disclosed
EP-4407067-A1 PLATING BATH COMPOSITION FOR PLATING OF PRECIOUS METAL AND A METHOD FOR DEPOSITING A PRECIOUS METAL LAYER Atotech Deutschland GmbH & Co. KG (DE) 2024-07-31 EP disclosed
CN-109929103-B Method for preparing high-intrinsic-viscosity polyphenyl ether 北京赛福瑞技术服务有限公司 2024-03-29 CN disclosed
WO-2006006040-A2 NEWS DIAMINE SALTS OF CEPHALOSPORIN ANTIBIOTICS AND THEIR PREPARATION ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-01-19 WO disclosed
EP-0546228-A1 Curing agents for coatings TEXACO CHEMICAL COMPANY (US) 1993-06-16 EP disclosed
US-5093455-A Storage stability TEXACO CHEMICAL COMPANY (US) 1992-03-03 US disclosed
US-4442286-A Preparation of amines by the reduction of imines with phosphorous acid PETROLITE CORPORATION (US) 1984-04-10 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 (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-20080306256-A1 Salts in the Preparation of Cephalosporin Antibiodies ABCB11, SLC10A1, NISCH ADH1B 2975/4885ADH1C 3081/4885ADH1A 3046/4885

“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.