SCHEMBL5848574

SCHEMBL5848574

CC(=O)Cl.c1cc2ccc1o2

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Acetic Acid SCHEMBL7758558 0.85 FFAR3 (0.44) ALDH1A1MEN1MAPTKMT2AKDM4E
Acetic Acid SCHEMBL28808001 0.82 FFAR3 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL28592894 0.71 SMN1; SMN2 (0.50) MAPTSMN1; SMN2
SCHEMBL9577036 0.71 SMN1; SMN2 (0.50) MAPTSMN1; SMN2
Isopropyl Alcohol SCHEMBL20590526 0.69 ALDH1A1 (0.40) ALDH1A1
P-Xylene SCHEMBL28359965 0.69 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL3063658 0.69 KMT2A (0.38) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL5180151 0.69
SCHEMBL11026359 0.69
SCHEMBL1331921 0.69

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-7112605-B2 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) 2006-09-26 US disclosed
US-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof RESEARCH INSTITUTE OF MATERIAL MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES; 2004-02-12 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-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof PTGS1, PTGS2, PTGER1 ALDH1A1 1549/4885MEN1 2279/4885MAPT 4882/4885

“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.