SCHEMBL10164853

SCHEMBL10164853

Cc1c(Cl)ccc2c1CCC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
CES1 P23141 1/20 0.42
GAA P10253 2/20 0.35
PARP10 Q53GL7 3/20 0.34
PARP11 Q9NR21 3/20 0.34
MAPT P10636 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 2/20 0.33
BRDT Q58F21 1/20 0.33
CREBBP Q92793 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
PGR P06401 1/20 0.33
GLA P06280 1/20 0.32
TYMS P04818 1/20 0.32

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
SCHEMBL13923766 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCES1GAA
SCHEMBL8557216 0.79 NOTUM (0.44) ALDH1A1KDM4EHPGDCES1MAPT
SCHEMBL11663902 0.76 KDM4E (0.41) ALDH1A1KDM4EHPGDMAPTCASP1
SCHEMBL22102587 0.76 KDM4E (0.41) ALDH1A1KDM4EHPGDMAPTCASP1
SCHEMBL30437990 0.76 HPGD (0.41) ALDH1A1KDM4EHPGDMAPTCASP1
SCHEMBL1512616 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAAPARP10
SCHEMBL8182597 0.76 KDM4E (0.44) ALDH1A1KDM4EHPGDGAAPARP10
SCHEMBL386061 0.76 SLC22A8 (0.49) ALDH1A1KDM4EHPGDGAACASP1
SCHEMBL17604845 0.76 KDM4E (0.41) ALDH1A1KDM4EHPGDMAPTCASP1
SCHEMBL30549938 0.76 KDM4E (0.44) ALDH1A1KDM4EHPGDGAAPARP10

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
WO-2020119592-A1 NOVEL THREE-RING FUSED STRUCTURE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 信达生物制药(苏州)有限公司 2020-06-18 WO disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HPGD 313/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HPGD 313/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HPGD 313/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HPGD 313/4885

“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.