SCHEMBL16352104

SCHEMBL16352104

O=C(CCCc1ccccc1)N(O)CCCP(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.70
KDM4A O75164 1/20 0.59
KDM5A P29375 1/20 0.59
KDM4C Q9H3R0 1/20 0.59
PHF8 Q9UPP1 1/20 0.59
KDM2A Q9Y2K7 1/20 0.59

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
SCHEMBL16341566 0.99 ALOX5 (0.68) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL16792012 0.94 KDM4A (0.68) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL16352102 0.93 ALOX5 (0.72) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL16341565 0.88 ALOX5 (0.65) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL16352103 0.84 ALOX5 (0.52) ALOX5
SCHEMBL9833833 0.83 ALOX5 (1.00) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL16352089 0.83 ALOX5 (0.64) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL16322681 0.82 ALOX5 (0.51) ALOX5
SCHEMBL10692283 0.82 ALOX5 (0.79) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL9834381 0.81 ALOX5 (0.77) ALOX5KDM4AKDM5AKDM4CPHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
US-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 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-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE DCXR, G6PD, GRHPR ALOX5 1559/4885KDM4A 3340/4885KDM5A 1117/4885

“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.