SCHEMBL3435876

SCHEMBL3435876

C=CCNC(CC)NCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ABCC4 O15439 1/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 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
SCHEMBL4654198 0.82 SLC6A4 (0.32) TSHR
SCHEMBL1551333 0.77 MAPT (0.35) MMEACECPA1ACE2FAAH
Hydrochloric Acid SCHEMBL437245 0.76 MAPT (0.34) MMEACECPA1ACE2FAAH
Lactic Acid SCHEMBL6557978 0.75 TP53 (0.34) ALDH1A1
SCHEMBL3658182 0.74 MAPT (0.33) ALDH1A1MAPTSMN1; SMN2ABCC4TSHR
SCHEMBL17063630 0.74 TSHR (0.45) FAAHALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL8914833 0.73 CYP2D6 (0.31) CYP2D6
SCHEMBL11665508 0.73 LMNA (0.31) SMN1; SMN2
SCHEMBL22174668 0.71
SCHEMBL5570056 0.71 SLC6A4 (0.38) FAAHALDH1A1MAPTSMN1; SMN2ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2693874-B1 DISINFECTANT FOR CLEANING THE DISPLAYS OF ELECTRONIC DEVICES BODE CHEMIE GMBH (DE) 2015-12-16 EP claimed
CN-109922781-A 1- [(the 4R) -4- methylcyclohexene -1- base] purposes of ethyl ketone as aromachemicals 巴斯夫欧洲公司 2019-06-21 CN disclosed
CN-105025870-B Composition comprising a metal oxide and a metal oxide 西姆莱斯股份公司 2018-02-02 CN disclosed
CN-107249553-A Compositions comprising carbohydrate partial esters 巴斯夫欧洲公司 2017-10-13 CN disclosed
EP-3227016-A1 MICROCAPSULES BASF SE (DE) 2017-10-11 EP disclosed
CN-103222931-B Composition containing menthofuran and menthol 希姆莱塞股份公司 2017-08-15 CN disclosed
CN-102481463-B Cosmetics or dermatological preparation 施特雷特曼斯博士有限责任公司 2017-07-18 CN disclosed
CN-106659657-A Improved decolourization of coloured keratinic fibres 汉高股份有限及两合公司 2017-05-10 CN disclosed
CN-106659653-A Sunscreen formulations optimized for vitamin D formation 巴斯夫欧洲公司 2017-05-10 CN disclosed
US-20150322070-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2015-11-12 US disclosed
US-7727949-B2 Cleaning agent for thermostatic chambers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
US-20080214420-A1 Cleaning Agent for Thermostatic Chambers FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2008-09-04 US disclosed
EP-1865049-A1 CLEANING AGENT FOR THERMOSTATIC CHAMBERS Wako Pure Chemical Industries, Ltd. (JP) 2007-12-12 EP disclosed
WO-2006106113-A2 USE OF COPOLYMERS CONTAINING POLYISOBUTYLENE IN SHAMPOOS AND HAIRCARE PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 WO disclosed
EP-1191920-A2 METHOD FOR PERMANENTLY SHAPING KERATIN FIBRES, AND AGENTS Hans Schwarzkopf GmbH (DE) 2002-04-03 EP disclosed
EP-1173147-A2 SUNSCREEN AGENTS CONTAINING HYDROXYCARBOXYLIC ACID ALKYL,-AND/OR ALKENYLOLIGO- GLYCOSIDE ESTERS Cognis Deutschland GmbH (DE) 2002-01-23 EP disclosed
EP-1154752-A1 PREPARATIONS FOR TREATING KERATIN FIBRES Hans Schwarzkopf GmbH & Co. KG (DE) 2001-11-21 EP disclosed
WO-2000061078-A2 SUNSCREEN AGENTS CONTAINING HYDROXYCARBOXYLIC ACID ALKYL- AND/OR -ALKENYLOLIGOGLYCOSIDE ESTERS COGNIS DEUTSCHLAND GMBH (DE) 2000-10-19 WO disclosed
WO-2000050000-A1 PREPARATIONS FOR TREATING KERATIN FIBRES HANS SCHWARZKOPF GMBH & CO. KG (DE) 2000-08-31 WO disclosed
WO-1999058099-A2 METHOD FOR PERMANENTLY SHAPING KERATIN FIBRES, AND AGENTS HANS SCHWARZKOPF GMBH & CO. KG (DE) 1999-11-18 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 (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-20150322070-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 MME 3395/4885ACE 1523/4885CPA1 4209/4885

“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.