SCHEMBL4969721

SCHEMBL4969721

CCCC(Br)C(=O)Nc1cc(C)cc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
SOAT2 O75908 1/20 0.37
ACAT1 P24752 1/20 0.37
SOAT1 P35610 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PYGL P06737 1/20 0.35
CYP2C9 P11712 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B2 P37059 1/20 0.34
PGR P06401 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
LMNA P02545 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL4968625 0.92 GAA (0.40) GAASOAT2ACAT1SOAT1HTT
SCHEMBL4970638 0.88 GAA (0.43) GAASOAT2ACAT1SOAT1HTT
SCHEMBL4969873 0.80 GAA (0.43) GAAHSD17B2MEN1KMT2ALMNA
SCHEMBL4969931 0.79 GAA (0.55) GAASOAT2ACAT1SOAT1NPSR1
SCHEMBL4968427 0.78 GAA (0.41) GAAHTTNPSR1PYGLCYP2C9
SCHEMBL4971218 0.78 GAA (0.41) GAAHTTNPSR1PYGLCYP2C9
SCHEMBL4968432 0.78 GAA (0.41) GAAHTTNPSR1PYGLCYP2C9
SCHEMBL4969032 0.73 GAA (0.41) GAAHTTNPSR1PYGLCYP2C9
SCHEMBL12919808 0.72 ALDH1A1 (0.52) GAAHTTSMN1; SMN2HSD17B2MEN1
SCHEMBL4970068 0.71 GAA (0.41) GAAHTTPYGLSMN1; SMN2HSD17B2

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 GAA 783/4885SOAT2 25/4885ACAT1 20/4885

“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.