SCHEMBL1019564

SCHEMBL1019564

COC(=O)c1cc(C(C)C)c(OCc2ccccc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
SMPD1 P17405 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
POLB P06746 1/20 0.47
GLRA1 P23415 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
RXRA P19793 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44

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 0.95 GLRA1 (0.49) HPGDALDH1A1HTTSMPD1HDAC1
SCHEMBL1018517 0.89 GLRA1 (0.44) HPGDALDH1A1HTTSMPD1HDAC1
SCHEMBL22354782 0.89 SMN1; SMN2 (0.49) HPGDALDH1A1HTTSMPD1HDAC1
SCHEMBL1018714 0.88 LMNA (0.53) HPGDSMPD1HDAC1HDAC8HDAC6
SCHEMBL4566987 0.85 GLRA1 (0.47) HPGDALDH1A1HTTSMPD1HDAC1
SCHEMBL31363066 0.85 GLRA1 (0.49) ALDH1A1HTTPOLBGLRA1LMNA
SCHEMBL383740 0.83 FOLH1 (0.55) ALDH1A1CTSVCTSLPOLBGLRA1
SCHEMBL16097521 0.82 SMPD1 (0.50) HPGDALDH1A1HTTSMPD1HDAC1
SCHEMBL1764051 0.82 ABCB1 (0.59) HPGDSMPD1HDAC1HDAC8HDAC6
SCHEMBL19569167 0.82 TSHR (0.49) HPGDALDH1A1HTTSMPD1HDAC1

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 HPGD 669/4885ALDH1A1 698/4885HTT 313/4885
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS NR3C2, NR5A2, NR0B1 HPGD 2994/4885ALDH1A1 541/4885HTT 1259/4885

“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.