SCHEMBL4968639

SCHEMBL4968639

CCc1cccc(NCC(Br)C(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.47
GABRB2 P47870 3/20 0.47
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
CLCN2 P51788 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.31
PTGS2 P35354 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL4971523 0.81 IDO1 (0.34) GABRA1GABRB2ALDH1A1IDO1L3MBTL1
SCHEMBL4968352 0.81 ALDH1A1 (0.41) GABRA1GABRB2ALDH1A1GAAMAPT
SCHEMBL4968083 0.81 CA2 (0.46) GABRA1GABRB2ALDH1A1POLBGAA
SCHEMBL4969957 0.80 ALDH1A1 (0.38) ALDH1A1IDO1L3MBTL1
SCHEMBL4968645 0.80 GABRA1 (0.48) GABRA1GABRB2ALDH1A1POLBMAPT
SCHEMBL4970188 0.76 IDO1 (0.44) GABRA1GABRB2ALDH1A1GAAMAPT
SCHEMBL4968629 0.75 GABRA1 (0.46) GABRA1GABRB2ALDH1A1POLBTAS1R3
SCHEMBL4970048 0.72 USP2 (0.34)
SCHEMBL4972088 0.72 IDO1 (0.44) ALDH1A1GAAMAPTIDO1
SCHEMBL4971180 0.69 GAA (0.42) POLBGAAMAPTIDO1HTT

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 GABRA1 3227/4885GABRB2 3610/4885ALDH1A1 142/4885

“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.