SCHEMBL580040

SCHEMBL580040

CCCCC(CC(=O)OC)C(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.69
CA1 P00915 4/20 0.69
ZDHHC7 Q9NXF8 1/20 0.46
BIRC2 Q13490 5/20 0.45
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38

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
SCHEMBL6860859 1.00 CA2 (0.69) CA2CA1ZDHHC7BIRC2MAPK1
SCHEMBL6867848 0.94 CA2 (0.61) CA2CA1ZDHHC7BIRC2USP2
SCHEMBL6870979 0.93 CA2 (0.59) CA2CA1ZDHHC7BIRC2USP2
SCHEMBL205652 0.93 CA2 (0.59) CA2CA1ZDHHC7BIRC2USP2
SCHEMBL6873801 0.93 CA2 (0.59) CA2CA1ZDHHC7BIRC2USP2
SCHEMBL6870714 0.93 CA2 (0.59) CA2CA1ZDHHC7BIRC2USP2
SCHEMBL6870778 0.93 CA2 (0.59) CA2CA1ZDHHC7BIRC2USP2
SCHEMBL6873130 0.93 CA2 (0.59) CA2CA1ZDHHC7BIRC2USP2
SCHEMBL6863926 0.93 CA2 (0.59) CA2CA1ZDHHC7BIRC2USP2
SCHEMBL6868274 0.93 CA2 (0.59) CA2CA1ZDHHC7BIRC2USP2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418030-B1 CURING AGENT COMPOSITION KAO CORP (JP) 2019-09-25 EP claimed
US-20120043694-A1 CURING AGENT COMPOSITION KAO CORPORATION (JP) 2012-02-23 US claimed
EP-2418030-A1 CURING AGENT COMPOSITION Kao Corporation (JP) 2012-02-15 EP claimed
CN-113336709-A Preparation method of N, N-dimethylacetamide 上海立科化学科技有限公司 2021-09-03 CN disclosed
EP-2418030-B1 CURING AGENT COMPOSITION KAO CORP (JP) 2019-09-25 EP disclosed
CN-107207515-B Pyrazine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2019-05-28 CN disclosed
EP-2581148-B1 PROCESS FOR PRODUCTION OF MOLDS KAO CORP (JP) 2018-10-24 EP disclosed
CN-107207515-A Pyrazine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2017-09-26 CN disclosed
US-8729152-B2 Curing agent composition KAO CORPORATION (JP) 2014-05-20 US disclosed
EP-2581148-A1 PROCESS FOR PRODUCTION OF MOLDS Kao Corporation (JP) 2013-04-17 EP disclosed
US-20120261087-A1 PROCESS FOR PRODUCING A MOLD KAO CORPORTATION (JP) 2012-10-18 US disclosed
US-20120043694-A1 CURING AGENT COMPOSITION KAO CORPORATION (JP) 2012-02-23 US disclosed
EP-2418030-A1 CURING AGENT COMPOSITION Kao Corporation (JP) 2012-02-15 EP disclosed
EP-1165633-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP disclosed
US-6716939-B2 COMPRISING TITANIUM, MAGNESIUM, HALOGEN AND AN ELECTRON DONOR COMPOUND SELECTED FROM ESTERS OF SUBSTITUTED SUCCINIC ACIDS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-04-06 US disclosed
US-20020183575-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2002-12-05 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 (2 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-20120043694-A1 CURING AGENT COMPOSITION ERG28, SMARCA5, MYB CA2 3521/4885CA1 2337/4885ZDHHC7 1130/4885
US-20020183575-A1 Components and catalysts for the polymerization of olefins SCO2, ECI1, MT-CO2 CA2 1406/4885CA1 1593/4885ZDHHC7 225/4885

“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.