SCHEMBL1018517

SCHEMBL1018517

COCOc1cc(OCc2ccccc2)c(C(C)C)cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
HDAC8 Q9BY41 2/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RXRA P19793 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
F2 P00734 1/20 0.40
F7 P08709 1/20 0.40
EGFR P00533 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL1148717 0.94 GLRA1 (0.49) GLRA1HPGDLMNAFFAR4ALDH1A1
SCHEMBL1019564 0.89 HPGD (0.49) GLRA1HPGDLMNAALDH1A1HTT
SCHEMBL1018574 0.88 CHEK1 (0.41) LMNAALDH1A1HTTEGFR
SCHEMBL4566987 0.84 GLRA1 (0.47) GLRA1HPGDLMNAFFAR4ALDH1A1
SCHEMBL1018714 0.84 LMNA (0.53) GLRA1HPGDLMNAHDAC8SMPD1
SCHEMBL31363066 0.84 GLRA1 (0.49) GLRA1LMNAALDH1A1HTTRXRA
SCHEMBL19569167 0.84 TSHR (0.49) GLRA1HPGDALDH1A1HTTHDAC8
SCHEMBL383740 0.82 FOLH1 (0.55) GLRA1ALDH1A1RXRACTSVCTSL
SCHEMBL383729 0.81 MAOB (0.55) GLRA1RXRABRD4
SCHEMBL24983869 0.81 LMNA (0.56) HPGDLMNAFFAR4HDAC8SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
EP-2271618-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2011-01-12 EP disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 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-20130210820-A1 Pharmaceutical Compounds SLC10A1, MAPT, SLC5A1 GLRA1 2941/4885HPGD 669/4885LMNA 3028/4885
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS NR3C2, NR5A2, NR0B1 GLRA1 874/4885HPGD 2994/4885LMNA 3184/4885

“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.