SCHEMBL4968094

SCHEMBL4968094

COC(=O)CCN1C(=O)[C@@H](C(C)C)Oc2c(Cl)cc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.37
KAT2B Q92831 5/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL4968100 1.00 BRD4 (0.37) BRD4KAT2BSIRT2KDM4EALDH1A1
SCHEMBL4970577 1.00 BRD4 (0.37) BRD4KAT2BSIRT2KDM4EALDH1A1
SCHEMBL4969216 0.90 SIRT2 (0.38) BRD4KAT2BSIRT2MAPTL3MBTL1
SCHEMBL4969213 0.90 SIRT2 (0.38) BRD4KAT2BSIRT2MAPTL3MBTL1
SCHEMBL4969540 0.90 SIRT2 (0.38) BRD4KAT2BSIRT2MAPTL3MBTL1
SCHEMBL4967526 0.90 CYP3A4 (0.37) BRD4KAT2BKDM4EALDH1A1
SCHEMBL4967521 0.90 CYP3A4 (0.37) BRD4KAT2BKDM4EALDH1A1
SCHEMBL4969672 0.90 CYP3A4 (0.37) BRD4KAT2BKDM4EALDH1A1
SCHEMBL4970715 0.88 KMO (0.40) BRD4KDM4E
SCHEMBL4968263 0.88 KMO (0.40) BRD4KDM4E

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 3303/4885KAT2B 1512/4885SIRT2 2057/4885

“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.