SCHEMBL4968331

SCHEMBL4968331

Cc1cc(C)c2c(c1)NC(=O)[C@H](C(C)C)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.44
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 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
SCHEMBL4967583 1.00 BRD4 (0.44) BRD4LMNAGAAMEN1KMT2A
SCHEMBL4967580 1.00 BRD4 (0.44) BRD4LMNAGAAMEN1KMT2A
SCHEMBL4969007 0.85 BRD4 (0.34) BRD4GAAMEN1KMT2ACA12
SCHEMBL4969003 0.85 BRD4 (0.34) BRD4GAAMEN1KMT2ACA12
SCHEMBL4971366 0.85 BRD4 (0.45) BRD4LMNAGAAMEN1KMT2A
SCHEMBL4970074 0.85 BRD4 (0.45) BRD4LMNAGAAMEN1KMT2A
SCHEMBL4970052 0.85 BRD4 (0.45) BRD4LMNAGAAMEN1KMT2A
SCHEMBL4968613 0.85 BRD4 (0.40) BRD4LMNAGAAMEN1KMT2A
SCHEMBL4970075 0.85 BRD4 (0.40) BRD4LMNAGAAMEN1KMT2A
SCHEMBL4971163 0.85 BRD4 (0.40) BRD4LMNAGAAMEN1KMT2A

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 BRD4 3303/4885LMNA 4136/4885GAA 783/4885

“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.