SCHEMBL4970144

SCHEMBL4970144

CCc1cc(C)c(O)c(NC(=O)C(Br)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
GAA P10253 5/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PKM P14618 1/20 0.34
PGR P06401 2/20 0.33
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SOAT2 O75908 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4968427 0.84 GAA (0.41) HTTGAAPGRALDH1A1LMNA
SCHEMBL4968432 0.84 GAA (0.41) HTTGAAPGRALDH1A1LMNA
SCHEMBL4971218 0.84 GAA (0.41) HTTGAAPGRALDH1A1LMNA
SCHEMBL4967536 0.81 HTT (0.39) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL4969103 0.81 HTT (0.39) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL4970152 0.75 ALOX5 (0.33) ALOX5PTGS1PTGS2
SCHEMBL4968336 0.75 HTT (0.44) HTTGAAPGRSCN1ASCN2A
SCHEMBL4970600 0.72 HTT (0.39) HTTGAAALDH1A1LMNAMAPT
SCHEMBL4968629 0.72 GABRA1 (0.46) HTTGAAALDH1A1MAPTMEN1
SCHEMBL4968591 0.72 HTT (0.39) HTTGAAALDH1A1LMNAMAPT

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 HTT 772/4885GAA 783/4885RXFP1 1067/4885

“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.