SCHEMBL4290342

SCHEMBL4290342

CC1(C)Cc2cc(OCC[C@@H]3CN(C(=O)O)CCN3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 10/20 0.39
GAA P10253 8/20 0.39
HPGD P15428 5/20 0.39
GLA P06280 5/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 2/20 0.39
NPC1 O15118 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARA Q07869 8/20 0.37
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL4301418 0.86 FFAR4 (0.37) GAAMEN1KMT2A
SCHEMBL4287834 0.83 KDM4E (0.41) KDM4EALDH1A1GAAHPGDGLA
Hydrochloric Acid SCHEMBL4289106 0.81 TSHR (0.41) PPARAPPARG
SCHEMBL4282146 0.80 FKBP1A (0.47) ALDH1A1HPGDNPC1SMN1; SMN2MEN1
SCHEMBL4288465 0.79 LMNA (0.49) ALDH1A1GAANPC1SMN1; SMN2MEN1
SCHEMBL4752778 0.79 RAB9A (0.44) GAAHPGDNPC1SMN1; SMN2MEN1
SCHEMBL4281703 0.79 RAB9A (0.44) GAAHPGDNPC1SMN1; SMN2MEN1
SCHEMBL4291445 0.78 TSHR (0.41) ALDH1A1HPGDNPC1SMN1; SMN2PPARA
SCHEMBL4282373 0.77 L3MBTL1 (0.47) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL4751897 0.77 L3MBTL1 (0.47) ALDH1A1GAASMN1; SMN2MEN1KMT2A

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 760/4885ALDH1A1 388/4885GAA 1381/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ALDH1A1 388/4885GAA 1381/4885

“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.