SCHEMBL12438178

SCHEMBL12438178

CC(C)C(=O)c1ccc(Cl)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
GAA P10253 2/20 0.44
DBH P09172 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP1 P29466 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
FFAR1 O14842 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
P2RX1 P51575 1/20 0.42
P2RX4 Q99571 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
SCHEMBL17576548 0.85 CA1 (0.60) KDM4EPKMCA1CA2GAA
SCHEMBL8196836 0.82 SMN1; SMN2 (0.59) KDM4EGAARECQLALDH1A1CYP3A4
SCHEMBL30209768 0.82 SMN1; SMN2 (0.59) KDM4EGAARECQLALDH1A1CYP3A4
SCHEMBL29378476 0.80 CA12 (0.59) KDM4ECA1CA2GAADBH
SCHEMBL1830213 0.80 CA12 (0.59) KDM4ECA1CA2GAADBH
SCHEMBL24450820 0.79 ABL1 (0.59) KDM4EPKMGAARECQLALDH1A1
SCHEMBL26732605 0.79 ALDH1A1 (0.55) KDM4ECA1CA2GAAALDH1A1
SCHEMBL12438055 0.79 TRPA1 (0.47) GAAALDH1A1TSHRCASP1SMN1; SMN2
SCHEMBL8168081 0.78 ALDH1A1 (0.59) KDM4ECA1CA2RECQLALDH1A1
SCHEMBL12438198 0.78 MAPT (0.45) KDM4EGAARECQLALDH1A1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 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 (3 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 KDM4E 1943/4885PKM 921/4885RXFP1 1630/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 KDM4E 4057/4885PKM 1221/4885RXFP1 3582/4885
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 KDM4E 2794/4885PKM 2282/4885RXFP1 1940/4885

“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.