SCHEMBL6370405

SCHEMBL6370405

N[C@H](C=O)Cc1cc2cc-2c1.N[C@H](C=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
LAP3 P28838 3/20 0.42
ANPEP P15144 2/20 0.42
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6377106 1.00 EPHX1 (0.47) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL623688 0.90 EPHX1 (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL2639450 0.90 EPHX1 (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL6486058 0.90 EPHX1 (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL309963 0.90 EPHX1 (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7327748 0.90 EPHX1 (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8781479 0.88 EPHX1 (0.54) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL5568008 0.88 EPHX1 (0.54) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL24311844 0.81 SRR (0.50) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL18647219 0.81 SRR (0.50) EPHX1ALPIPKMPTGS1XIAP

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-20050137141-A1 Prodrug composition HILFINGER JOHN (US) 2005-06-23 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-20050137141-A1 Prodrug composition CYP3A5, SLC35B2, SLC1A5 EPHX1 1951/4885ALPI 215/4885PKM 772/4885

“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.