SCHEMBL4970340

SCHEMBL4970340

O=C(Nc1ccc(Cl)cc1O)C(Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.49
GRIK1 P39086 2/20 0.48
ERBB2 P04626 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
KCNMA1 Q12791 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL4968278 0.88 KCNMA1 (0.60) MEN1KMT2AGAAGRIK1ALDH1A1
SCHEMBL4969960 0.76 ALDH1A1 (0.45) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL1851955 0.76 CXCR2 (0.57) CXCR2MEN1KMT2AGRIK1ERBB2
SCHEMBL27142231 0.75 CXCR2 (0.54) CXCR2MEN1KMT2AGAAGRIK1
SCHEMBL27126721 0.75 CXCR2 (0.54) CXCR2MEN1KMT2AGAAGRIK1
SCHEMBL1495948 0.75 KCNMA1 (0.77) CXCR2MEN1KMT2AALDH1A1NPSR1
SCHEMBL27672011 0.74 CXCR2 (0.59) CXCR2MEN1KMT2AGAAGRIK1
SCHEMBL10464712 0.73 SMN1; SMN2 (0.51) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL28636600 0.73 MEN1 (0.49) MEN1KMT2AGAAHSP90AA1ALDH1A1
SCHEMBL31202585 0.73 CNR1 (0.59) MEN1KMT2AGAAHSP90AA1ALDH1A1

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 CXCR2 1605/4885MEN1 4288/4885KMT2A 1121/4885

“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.