SCHEMBL420941

SCHEMBL420941

N#CCCN(Cc1ccccc1)C[C@H](O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 6/20 0.43
AOC3 Q16853 2/20 0.42
RET P07949 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL420942 1.00 POLB (0.45) POLBGAAALDH1A1AOC3RET
SCHEMBL421947 0.84 POLB (0.41) POLBGAAALDH1A1KDM4EAR
SCHEMBL9179389 0.84 ALDH1A1 (0.45) POLBGAAALDH1A1KDM4EKMT2A
SCHEMBL421948 0.84 POLB (0.41) POLBGAAALDH1A1KDM4EAR
SCHEMBL6819563 0.84 AOC3 (0.53) POLBALDH1A1AOC3RETKDR
SCHEMBL4407771 0.84 AOC3 (0.53) POLBALDH1A1AOC3RETKDR
SCHEMBL13699528 0.83 ALDH1A1 (0.52) POLBGAAALDH1A1AOC3RET
SCHEMBL8557986 0.83 ALDH1A1 (0.52) POLBGAAALDH1A1AOC3RET
SCHEMBL10962715 0.82 POLB (0.47) POLBGAAALDH1A1AR
SCHEMBL7484924 0.82 POLB (0.40) POLBGAAALDH1A1ARMAPT

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
EP-2420487-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
US-20120022271-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-01-26 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 (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-20120022271-A1 NOVEL METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDINE COMPOUND PPOX, CBR3, ALDH18A1 POLB 660/4885GAA 727/4885ALDH1A1 952/4885

“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.