SCHEMBL22797129

SCHEMBL22797129

C/C=C/C(=O)c1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.50
PKM P14618 2/20 0.50
ATM Q13315 2/20 0.50
THRB P10828 2/20 0.50
KMT2A Q03164 2/20 0.50
NLRP1 Q9C000 1/20 0.50
MEN1 O00255 1/20 0.50
NTSR1 P30989 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
THRA P10827 1/20 0.50
TPMT P51580 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CXCL12 P48061 1/20 0.46
MAPT P10636 4/20 0.44

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
SCHEMBL9113137 0.82 TPMT (0.52) ALDH1A1HTTNPSR1HPGDLMNA
SCHEMBL13519185 0.80 ALDH1A1 (0.78) ALDH1A1HTTNPSR1HPGDLMNA
SCHEMBL10694911 0.80 ALDH1A1 (0.52) ALDH1A1HTTNPSR1HPGDLMNA
SCHEMBL26976333 0.80 ALDH1A1 (0.52) ALDH1A1HTTNPSR1HPGDLMNA
SCHEMBL11587157 0.80 MAPT (0.63) ALDH1A1HTTNPSR1HPGDLMNA
SCHEMBL11818127 0.80 ALDH1A1 (0.78) ALDH1A1HTTNPSR1HPGDLMNA
SCHEMBL10694907 0.80 ALDH1A1 (0.52) ALDH1A1HTTNPSR1HPGDLMNA
SCHEMBL5854010 0.80 MAPT (0.63) ALDH1A1HTTNPSR1HPGDLMNA
SCHEMBL11818123 0.80 ALDH1A1 (0.78) ALDH1A1HTTNPSR1HPGDLMNA
SCHEMBL956091 0.78 CYP1A2 (0.63) ALDH1A1HTTNPSR1HPGDLMNA

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-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 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-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS PEPD, NRDC, DPP4 ALDH1A1 1492/4885HTT 4491/4885NPSR1 1511/4885

“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.