SCHEMBL3645465

SCHEMBL3645465

OCc1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62
LTA4H P09960 1/20 0.59
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
GLS O94925 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL11941565 0.86 ALDH1A1 (0.77) KDM4ETSHRTP53LTA4HALDH1A1
SCHEMBL109617 0.86 LTA4H (0.59) KDM4ETSHRTP53LTA4HALDH1A1
SCHEMBL3646083 0.86 KDM4E (0.62) KDM4ETSHRTP53LTA4HALDH1A1
SCHEMBL14578276 0.85 ALDH1A1 (0.69) KDM4ETSHRTP53LTA4HALDH1A1
SCHEMBL4629303 0.84 KDM4E (0.67) KDM4ETSHRTP53LTA4HALDH1A1
SCHEMBL1898560 0.84 LTA4H (0.56) KDM4ETSHRTP53LTA4HALDH1A1
SCHEMBL21368596 0.83 KDM4E (0.56) KDM4ETSHRTP53LTA4HALDH1A1
SCHEMBL14987027 0.83 KDM4E (0.62) KDM4ETSHRTP53LTA4HALDH1A1
Hydrochloric Acid SCHEMBL980503 0.83 KDM4E (0.65) KDM4ETSHRTP53LTA4HALDH1A1
SCHEMBL1300735 0.83 MET (0.56) KDM4ETSHRTP53LTA4HALDH1A1

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
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 US disclosed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 EP disclosed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 WO disclosed
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 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-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 KDM4E 2454/4885TSHR 2043/4885TP53 52/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 KDM4E 4221/4885TSHR 1206/4885TP53 4575/4885

“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.