SCHEMBL5068205

SCHEMBL5068205

COC(=O)c1c(OC)ccc2cc3ccccc3cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.54
NQO1 P15559 1/20 0.53
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NQO2 P16083 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44

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
SCHEMBL3915104 0.85 NCEH1 (0.70) NCEH1KDM4EALDH1A1HPGDMAPT
SCHEMBL998157 0.83 MEN1 (0.47) NCEH1KDM4EALDH1A1HPGDNPSR1
SCHEMBL3679271 0.83 ALDH1A1 (0.51) NCEH1KDM4EALDH1A1HPGDNPSR1
SCHEMBL22534193 0.82 ALDH1A1 (0.52) NCEH1KDM4EALDH1A1HPGDNPSR1
SCHEMBL25189746 0.81 ALDH1A1 (0.50) NCEH1KDM4EALDH1A1HPGDNPSR1
SCHEMBL27404692 0.80 ALDH1A1 (0.47) NCEH1KDM4EALDH1A1HPGDNPSR1
SCHEMBL9863303 0.79 ALDH1A1 (0.55) NCEH1KDM4EALDH1A1HPGDNPSR1
SCHEMBL10559440 0.78 ALDH1A1 (0.59) NCEH1KDM4EALDH1A1HPGDNPSR1
SCHEMBL11509901 0.77 RXFP1 (0.55) NCEH1KDM4EALDH1A1MAPTKMT2A
SCHEMBL27404691 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 NCEH1 248/4885NQO1 1174/4885KDM4E 2352/4885

“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.