SCHEMBL1322604

SCHEMBL1322604

CCCCc1cc(C=O)ccc1/C=C/C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.43
ESR2 Q92731 6/20 0.43
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PTGER3 P43115 4/20 0.40
PTGER2 P43116 4/20 0.40
PTGER4 P35408 3/20 0.40
TBXA2R P21731 1/20 0.39

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
SCHEMBL7937601 0.83 MIF (0.53) ESR1ESR2KDM4EALDH1A1AKR1B10
SCHEMBL7937596 0.83 MIF (0.53) ESR1ESR2KDM4EALDH1A1AKR1B10
SCHEMBL28552435 0.83 ATG4B (0.48) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL11759112 0.82 ALDH1A3 (0.40) KDM4EALDH1A1RAB9APTGER4EGFR
SCHEMBL6367458 0.82 TDO2 (0.46) ESR1ESR2KDM4EALDH1A1PTGER3
SCHEMBL6367849 0.80 PTGER4 (0.49) ESR1ESR2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5178122 0.80 PTGER4 (0.49) ESR1ESR2ALDH1A1SMN1; SMN2NPC1
SCHEMBL2495109 0.79 MIF (0.51) ESR1ESR2MEN1KMT2A
SCHEMBL11791653 0.79 ATG4B (0.43) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL11791639 0.79 ATG4B (0.43) KDM4EALDH1A1SMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814850-B9 NEW HISTONE DEACETYLASES INHIBITORS DAC SRL (IT) 2015-02-25 EP disclosed
EP-1814850-B1 NEW HISTONE DEACETYLASES INHIBITORS DAC SRL (IT) 2013-07-03 EP disclosed
US-8058273-B2 Histone deacetylases inhibitors DAC S.R.L. (IT) 2011-11-15 US disclosed
US-7803800-B2 Histone deacetylases inhibitors DAC S.R.L. (IT) 2010-09-28 US disclosed
US-20100240660-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2010-09-23 US disclosed
US-20080096889-A1 Histone Deacetylases Inhibitors GENEXTRA S.P.A. (IT) 2008-04-24 US disclosed
EP-1814850-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2007-08-08 EP disclosed
WO-2006037761-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2006-04-13 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-20100240660-A1 NEW HISTONE DEACETYLASES INHIBITORS HDAC1, HDAC3, HDAC11 ESR1 3961/4885ESR2 1409/4885AKR1C3 736/4885
US-20080096889-A1 Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC11 ESR1 3824/4885ESR2 1260/4885AKR1C3 858/4885

“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.