SCHEMBL4969008

SCHEMBL4969008

CC(C)(C)c1cccc2c1OC(c1ccccc1)C(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
GSK3B P49841 1/20 0.42
BRD4 O60885 6/20 0.40
CREBBP Q92793 5/20 0.40
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPV1 Q8NER1 4/20 0.35
SIRT1 Q96EB6 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
SCHEMBL4969066 0.81 CA2 (0.54) CA2GSK3BBRD4CREBBPPARP1
SCHEMBL22822780 0.80 PARP1 (0.53) BRD4CREBBPPARP1TRPV1BRPF1
SCHEMBL4968919 0.79 CA2 (0.51) CA2GSK3BBRD4CREBBPPARP1
SCHEMBL4969956 0.78 CA2 (0.54) CA2GSK3BBRD4CREBBPPARP1
SCHEMBL21695777 0.78 CA2 (0.54) CA2GSK3BBRD4CREBBPPARP1
SCHEMBL4972202 0.78 CA2 (0.50) CA2GSK3BBRD4CREBBPPARP1
SCHEMBL5118106 0.76 CA2 (0.51) CA2GSK3BBRD4CREBBPPARP1
SCHEMBL4968933 0.76 BRD4 (0.37) CA2BRD4CREBBPPARP1HPGD
SCHEMBL17634184 0.75 CA2 (0.37) CA2GSK3BBRD4PARP1ALDH1A1
SCHEMBL5670399 0.72 CA2 (0.62) CA2GSK3BBRD4CREBBPPARP1

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 363/4885GSK3B 3902/4885BRD4 3303/4885

“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.