SCHEMBL4290889

SCHEMBL4290889

CCOc1ccccc1OCC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
REN P00797 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.38
NOD2 Q9HC29 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR7 P34969 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 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
Hydrochloric Acid SCHEMBL4289621 0.90 LMNA (0.48) KDM4EL3MBTL1ALDH1A1TDP1NPSR1
SCHEMBL4283243 0.88 KDM4E (0.46) KDM4EALDH1A1TDP1NPSR1REN
Hydrochloric Acid SCHEMBL4290963 0.87 KDM4E (0.43) KDM4EALDH1A1TDP1NPSR1REN
Hydrochloric Acid SCHEMBL4294296 0.85 MAPT (0.47) KDM4EL3MBTL1ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL4285513 0.85 MEN1 (0.43) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4281883 0.85 NPC1 (0.43) KDM4EL3MBTL1ALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL4749978 0.85 MEN1 (0.43) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4281545 0.84 RXRA (0.40) RENCA1CA2CA4CA9
SCHEMBL3493396 0.84 TEAD1 (0.46) KDM4EL3MBTL1ALDH1A1RENMAPT
SCHEMBL4282069 0.83 ALDH1A1 (0.39) KDM4EALDH1A1RENMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885L3MBTL1 3597/4885GLA 1251/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885L3MBTL1 3597/4885GLA 1251/4885

“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.