SCHEMBL2292744

SCHEMBL2292744

CCOC(=O)CC(c1ccc(CC)cc1)n1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
ASAH1 Q13510 1/20 0.38
TSHR P16473 2/20 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
SCHEMBL12380647 0.91 HSD17B10 (0.50) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL2292402 0.89 KDM4E (0.46) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL2295302 0.86 MEN1 (0.48) ALDH1A1KDM4EHDAC8HSD17B10HPGD
SCHEMBL2297233 0.78 HCAR3 (0.55) ALDH1A1KDM4EHTTLMNAHSD17B10
SCHEMBL2292935 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL2292529 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL12419726 0.78 MEN1 (0.45) HTTLMNAHDAC8HSD17B10HPGD
SCHEMBL22820548 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EHTTHDAC8HSD17B10
SCHEMBL2298531 0.76 HSD17B10 (0.49) ALDH1A1KDM4EMAPTHDAC8HSD17B10
SCHEMBL2296211 0.76 TACR1 (0.40) ALDH1A1KDM4EHTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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 (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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 ALDH1A1 1381/4885KDM4E 1654/4885HTT 4869/4885

“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.