SCHEMBL4968625

SCHEMBL4968625

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SOAT2 O75908 1/20 0.40
ACAT1 P24752 1/20 0.40
SOAT1 P35610 1/20 0.40
LMNA P02545 1/20 0.40
PYGL P06737 2/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.35
ESR1 P03372 2/20 0.35
ERAP2 Q6P179 2/20 0.34
LNPEP Q9UIQ6 2/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4969721 0.92 GAA (0.41) GAASOAT2ACAT1SOAT1LMNA
SCHEMBL4970638 0.86 GAA (0.43) GAASOAT2ACAT1SOAT1LMNA
SCHEMBL4969873 0.78 GAA (0.43) GAALMNAPOLBL3MBTL1
SCHEMBL14556802 0.76 GAA (0.48) GAAPOLBZDHHC7LCKPPARD
SCHEMBL4969931 0.76 GAA (0.55) GAASOAT2ACAT1SOAT1LMNA
SCHEMBL13412609 0.76 GAA (0.48) GAAPOLBZDHHC7LCKPPARD
SCHEMBL4968427 0.76 GAA (0.41) GAALMNAPYGLCYP2C9POLB
SCHEMBL4971218 0.76 GAA (0.41) GAALMNAPYGLCYP2C9POLB
SCHEMBL4968432 0.76 GAA (0.41) GAALMNAPYGLCYP2C9POLB
SCHEMBL4969032 0.71 GAA (0.41) GAAPYGLCYP2C9HTTNPSR1

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.