SCHEMBL21392032

SCHEMBL21392032

Cc1[nH]c2cc(N3CCOCC3)ccc2c1CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 1/20 0.47
EGFR P00533 2/20 0.46
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
APEX1 P27695 1/20 0.45
KIF11 P52732 1/20 0.43
CDK2 P24941 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.42
GPR17 Q13304 4/20 0.42
NR1I2 O75469 1/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL21392230 0.92 KIF11 (0.50) KLK6EGFRAPEX1KIF11CDK2
SCHEMBL18029358 0.81 JAK2 (0.45) KLK6EGFRJAK2JAK1TYK2
SCHEMBL20935256 0.78 JAK2 (0.46) KLK6EGFRJAK2JAK1TYK2
SCHEMBL23226331 0.78 PLA2G4A (0.42) EGFRKDM4EMEN1ALDH1A1POLB
SCHEMBL18509428 0.77 EGFR (0.72) EGFRAPEX1KDM4EMEN1ALDH1A1
SCHEMBL19872652 0.76 ALDH1A1 (0.51) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL21396246 0.76 PLA2G4A (0.49) EGFRKDM4EMEN1ALDH1A1POLB
SCHEMBL20120037 0.76 GPR17 (0.41) KLK6APEX1KDM4EMEN1ALDH1A1
SCHEMBL20119872 0.76 EGFR (0.46) KLK6EGFRKDM4EMEN1KMT2A
SCHEMBL20935027 0.76 EGFR (0.56) EGFRAPEX1KDM4EALDH1A1TDP1

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-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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 (2 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 KLK6 2557/4885EGFR 3494/4885JAK2 4698/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 KLK6 2557/4885EGFR 3494/4885JAK2 4698/4885

“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.