SCHEMBL13832508

SCHEMBL13832508

CCCCOCC(=O)COC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
PLA2G4B P0C869 9/20 0.46
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.38
PLA2G4A P47712 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7862056 0.91 CES2 (0.58) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL2430018 0.84 CES2 (0.68) CES2PLA2G4BTSHRPLA2G4A
SCHEMBL2865178 0.82 CES2 (0.72) CES2PLA2G4BTSHRPLA2G4A
SCHEMBL6702677 0.82 CES2 (0.54) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL28145928 0.80 CES2 (0.52) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL12814326 0.80 CES2 (0.52) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL12814324 0.80 CES2 (0.52) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL2601411 0.79 CES2 (0.47) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL15870674 0.78 CES2 (0.50) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL14614230 0.78 CES2 (0.55) CES2PLA2G4BTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834518-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 US disclosed
EP-2704572-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2015-12-30 EP disclosed
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 US disclosed
WO-2013169401-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2013-11-14 WO disclosed
WO-2012151561-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2012-11-08 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 (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-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES BRAF, RAF1, EGFR CES2 3064/4885PLA2G4B 1233/4885TSHR 2717/4885
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 CES2 3502/4885PLA2G4B 3763/4885TSHR 2573/4885

“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.