SCHEMBL72494

SCHEMBL72494

CCOC(=O)N1CCc2oc3c(OC)cccc3c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.43
ATM Q13315 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
GLA P06280 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
TSHR P16473 1/20 0.43
DRD2 P14416 4/20 0.41
ERN1 O75460 2/20 0.41
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
HTR1A P08908 1/20 0.40
DRD1 P21728 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
SCHEMBL73051 0.92 DRD2 (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL72465 0.79 PTGDR2 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL72705 0.78 PTGDR2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL15016186 0.78 DRD2 (0.46) ALDH1A1KDM4ELMNADRD2ABHD6
SCHEMBL73047 0.74 MAPT (0.48) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL73099 0.74 PTGDR2 (0.44) ALDH1A1MEN1KMT2ALMNAAKR1B10
SCHEMBL73054 0.73 PTGDR2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL73835 0.71 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5912816 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10323888 0.70 HTR6 (0.54) KMT2APTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-8129401-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2012-03-06 US disclosed
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2011-08-04 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 (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-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A ALDH1A1 1267/4885KDM4E 2674/4885MEN1 4541/4885

“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.