SCHEMBL3757372

SCHEMBL3757372

C[C@H](NCC(=O)O)c1ccccc1.O=C(O)CNCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.50
BCHE P06276 6/20 0.48
EPHX1 P07099 3/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.45
APAF1 O14727 1/20 0.44
GRM7 Q14831 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATM Q13315 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL3681375 0.83 GAA (0.61) OPRK1BCHEEPHX1LMNAMEN1
SCHEMBL3681373 0.83 GAA (0.61) OPRK1BCHEEPHX1LMNAMEN1
SCHEMBL524374 0.81 APAF1 (0.62) LMNAMEN1KMT2ANPSR1APAF1
SCHEMBL653596 0.81 APAF1 (0.62) LMNAMEN1KMT2ANPSR1APAF1
SCHEMBL157741 0.81 APAF1 (0.62) LMNAMEN1KMT2ANPSR1APAF1
SCHEMBL157039 0.76 EPHX1 (0.50) EPHX1LMNAMEN1KMT2AL3MBTL1
Glycine SCHEMBL27727845 0.75 APAF1 (0.56) LMNAMEN1KMT2ANPSR1GAA
SCHEMBL12410231 0.75 SIGMAR1 (0.61) LMNAMEN1KMT2ANPSR1GAA
Bicarbonate SCHEMBL11119101 0.75 BCHE (0.54) OPRK1BCHEEPHX1MEN1KMT2A
SCHEMBL8165369 0.74 CYP2D6 (0.47) EPHX1LMNAMEN1KMT2AL3MBTL1

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-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US disclosed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 OPRK1 1311/4885BCHE 4291/4885EPHX1 2541/4885

“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.