SCHEMBL20248643

SCHEMBL20248643

O=C(CN1CCCC[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CTSK P43235 8/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.46
CHRM3 P20309 1/20 0.44
GFER P55789 1/20 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
SCHEMBL12634745 0.95 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL23723317 0.95 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL12302263 0.95 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL8546917 0.87 RAB9A (0.50) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL20248642 0.85 CTSK (0.56) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL12634763 0.84 CTSK (0.52) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL12634718 0.84 CTSK (0.52) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL16307617 0.84 POLB (0.53) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL16307618 0.81 CTSK (0.53) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL12137390 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162855-A1 PDD AND BPD COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2018-06-14 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-20180162855-A1 PDD AND BPD COMPOUNDS DRD1, DRD2, XDH ALDH1A1 869/4885KMT2A 2968/4885KDM4E 2843/4885

“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.