SCHEMBL6776859

SCHEMBL6776859

CC(C)(C)C#Cc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPT P10636 1/20 0.49
HTT P42858 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
KMT2A Q03164 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SORT1 Q99523 1/20 0.41
MPO P05164 1/20 0.41
CES2 O00748 1/20 0.40

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
SCHEMBL6775538 0.85 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL6771753 0.85 HTT (0.44) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL4031912 0.81 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL4030328 0.78 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL6205935 0.78 TDP1 (0.51) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL21051836 0.78 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL6771507 0.78 MAPT (0.46) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL6776372 0.78 ADRB2 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMAOA
SCHEMBL6776375 0.78 ADRB2 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMAOA
SCHEMBL12302449 0.77 KDM4E (0.42) MAPTKMT2ASORT1

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-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 ALDH1A1 1121/4885TDP1 3740/4885CYP3A4 2899/4885

“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.