SCHEMBL6720237

SCHEMBL6720237

NC(CF)(Cc1ccccc1O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
IDO1 P14902 2/20 0.42
HIF1A Q16665 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ODC1 P11926 1/20 0.40
HSPA5 P11021 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL11087140 0.87 IAPP (0.41) AKR1B1HIF1ASMN1; SMN2ODC1ARG1
SCHEMBL11223299 0.81 ODC1 (0.41) AKR1B1IDO1HIF1ASMN1; SMN2ODC1
SCHEMBL11327908 0.81 TYR (0.43) ODC1MEN1KMT2A
SCHEMBL11327906 0.81 TYR (0.43) ODC1MEN1KMT2A
SCHEMBL11089503 0.81 EGFR (0.40) HIF1AODC1MEN1RECQLKMT2A
SCHEMBL2212930 0.79 SMN1; SMN2 (0.60) AKR1B1HIF1ASMN1; SMN2ODC1TAAR1
SCHEMBL11236722 0.78 MAPT (0.37) SMN1; SMN2ODC1MEN1RECQLKMT2A
SCHEMBL11094621 0.78 ALDH1A1 (0.40) HIF1ASMN1; SMN2ODC1KMT2ACA12
SCHEMBL23963102 0.78 ODC1 (0.38) HIF1ASMN1; SMN2ODC1ARG1ARG2
SCHEMBL23963121 0.78 ODC1 (0.38) HIF1ASMN1; SMN2ODC1ARG1ARG2

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-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 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-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH AKR1B1 668/4885IDO1 1456/4885HIF1A 1733/4885

“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.