SCHEMBL4968083

SCHEMBL4968083

CC(C)C(Br)CNc1cccc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALOX12 P18054 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
IDO1 P14902 1/20 0.32
ATM Q13315 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL4969957 0.82 ALDH1A1 (0.38) ALDH1A1IDO1KMT2A
SCHEMBL4968639 0.81 GABRA1 (0.47) CA2GABRA1GABRB2ALDH1A1POLB
SCHEMBL4971523 0.80 IDO1 (0.34) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL4968352 0.80 ALDH1A1 (0.41) CA2GABRA1GABRB2ALDH1A1GAA
SCHEMBL4968645 0.79 GABRA1 (0.48) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL4970188 0.74 IDO1 (0.44) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL4968569 0.73 ALDH1A1 (0.43) ALDH1A1TDP1GAAIDO1KMT2A
SCHEMBL4968079 0.72 ALDH1A1 (0.46) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL4970048 0.71 USP2 (0.34)
SCHEMBL4972088 0.71 IDO1 (0.44) ALDH1A1NPSR1GAAIDO1KMT2A

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 CA2 363/4885GABRA1 3227/4885GABRB2 3610/4885

“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.