SCHEMBL6308973

SCHEMBL6308973

CCOc1c(N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MDM2 Q00987 1/20 0.36
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL16026511 0.84 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1GAATSHR
SCHEMBL9423802 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTGAA
SCHEMBL14590618 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTTDP1MAPK1
SCHEMBL8243898 0.73 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL5554701 0.69 HSD17B10 (0.48) ALDH1A1S1PR1MAPTTSHR
SCHEMBL11747750 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMAPK1GAA
Tetraxetan SCHEMBL5370171 0.67 HSD17B10 (0.58) ALDH1A1S1PR1KDM4EMAPTGAA
SCHEMBL6848102 0.66 HSD17B10 (0.64) ALDH1A1S1PR1KDM4EMAPTMAPK1
Tetraxetan SCHEMBL18018 0.66 HSD17B10 (0.64) ALDH1A1S1PR1KDM4EMAPTMAPK1
SCHEMBL321989 0.66 HSD17B10 (0.64) ALDH1A1S1PR1KDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911457-B2 Imaging probes and methods for using the probes in diagnostic imaging processes and other imaging processes to determine physiological functions. CARBOMER, INC. (US) 2005-06-28 US claimed
US-20030207823-A1 Novel diabetes imaging probes CARBOMER, INC. 2003-11-06 US claimed
US-6911457-B2 Imaging probes and methods for using the probes in diagnostic imaging processes and other imaging processes to determine physiological functions. CARBOMER, INC. (US) 2005-06-28 US disclosed
US-20030207823-A1 Novel diabetes imaging probes CARBOMER, INC. 2003-11-06 US disclosed
WO-2003086563-A2 DIABETES IMAGING PROBES CARBOMER, INC. (US) 2003-10-23 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 (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-20030207823-A1 Novel diabetes imaging probes IAPP, GPR119, DPP4 ALDH1A1 3199/4885S1PR1 837/4885KDM4E 4555/4885

“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.