SCHEMBL3435871

SCHEMBL3435871

C=CCNN(CCC)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL1551330 0.87 TDP1 (0.33) FAAHTDP1EYA2APPACE
Hydrochloric Acid SCHEMBL437243 0.85 FAAH (0.33) FAAHTDP1EYA2APPACE
SCHEMBL8817028 0.83 TDP1 (0.33) TDP1EYA2APPACETSHR
SCHEMBL27712183 0.81 SMN1; SMN2 (0.35) TDP1EYA2APPACETSHR
SCHEMBL11617998 0.80 TSHR (0.35) FAAHTSHRALDH1A1
SCHEMBL4572477 0.76 ALOX15 (0.39) TDP1APPTSHRALDH1A1ALOX15
SCHEMBL3786123 0.75 TDP1 (0.36) FAAHTDP1EYA2APPACE
SCHEMBL3453847 0.74 TDP1 (0.39) TDP1EYA2APPACETSHR
SCHEMBL5803168 0.73 EPHX1 (0.42) TDP1APPTSHRALDH1A1ALOX15
SCHEMBL28075079 0.73 ZDHHC20 (0.30) SMN1; SMN2

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
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-106659653-A Sunscreen formulations optimized for vitamin D formation 巴斯夫欧洲公司 2017-05-10 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
US-20150322070-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2015-11-12 US disclosed
CN-102470087-A Ester mixtures and compositions comprising such ester mixtures COGNIS IP MAN GMBH 2012-05-23 CN 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
EP-0993298-A1 PRESERVATIVE SYSTEM FOR PERSONAL HYGIENE PRODUCTS Henkel Kommanditgesellschaft auf Aktien (DE) 2000-04-19 EP disclosed
WO-1999058099-A2 METHOD FOR PERMANENTLY SHAPING KERATIN FIBRES, AND AGENTS HANS SCHWARZKOPF GMBH & CO. KG (DE) 1999-11-18 WO disclosed
WO-1999007331-A1 PRESERVATIVE SYSTEM FOR PERSONAL HYGIENE PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-18 WO disclosed
EP-0452408-A1 SURFACE-ACTIVE MIXTURES Henkel Kommanditgesellschaft auf Aktien (DE) 1991-10-23 EP disclosed
WO-1990007922-A2 SURFACE-ACTIVE MIXTURES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-26 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 FAAH 2492/4885TDP1 2946/4885EYA2 3704/4885

“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.