SCHEMBL12035501

SCHEMBL12035501

CCOC(=O)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)[C@H](C)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.57
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX1 P07099 1/20 0.43
TACR1 P25103 2/20 0.42

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
SCHEMBL16674651 0.91 CPB1 (0.55) CPB1ALDH1A1GAATSHRMAPT
SCHEMBL12035506 0.88 ALDH1A1 (0.64) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL28703957 0.86 CPB1 (0.55) CPB1ALDH1A1GAATSHRMAPT
SCHEMBL16674650 0.86 CPB1 (0.55) CPB1ALDH1A1GAATSHRMAPT
SCHEMBL714522 0.86 CPB1 (0.53) CPB1ALDH1A1GAATSHRMAPT
SCHEMBL714949 0.86 CPB1 (0.53) CPB1ALDH1A1GAATSHRMAPT
SCHEMBL715808 0.86 CPB1 (0.53) CPB1ALDH1A1GAATSHRMAPT
SCHEMBL716516 0.86 CPB1 (0.53) CPB1ALDH1A1GAATSHRMAPT
SCHEMBL713199 0.86 CPB1 (0.53) CPB1ALDH1A1GAATSHRMAPT
SCHEMBL16674649 0.85 CPB1 (0.56) CPB1ALDH1A1GAATSHRMAPT

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-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 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-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CPB1 136/4885ALDH1A1 793/4885GAA 2113/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CPB1 3433/4885ALDH1A1 3734/4885GAA 4829/4885

“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.