SCHEMBL3635010

SCHEMBL3635010

[CH2]C(C(=O)OCCC)C(=O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 4/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.34
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL5871733 0.85 ALDH1A1 (0.56) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL5872233 0.83 NAAA (0.54) HCAR2ALDH1A1LMNATSHRHPGD
SCHEMBL4776137 0.82
SCHEMBL129854 0.82
SCHEMBL5871740 0.81 NAAA (0.57) HCAR2ALDH1A1LMNATSHRNAAA
SCHEMBL127777 0.80 HCAR2 (0.39) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL8684394 0.78 HDAC1 (0.38) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL79401 0.78 ALDH1A1 (0.50) HCAR2ALDH1A1LMNATSHR
SCHEMBL25387244 0.76 HCAR2 (0.43) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL6670943 0.76 HCAR2 (0.43) HCAR2ALDH1A1LMNATSHRESR1

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
CN-101835757-B Diacylglycerol acyltransferase inhibitors HOFFMANN LA ROCHE 2014-03-05 CN disclosed
CN-101835757-A Diacylglycerol acyltransferase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP 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-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 HCAR2 2731/4885ALDH1A1 272/4885LMNA 2666/4885

“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.