SCHEMBL4969540

SCHEMBL4969540

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.38
BRD4 O60885 5/20 0.37
KAT2B Q92831 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL4969213 1.00 SIRT2 (0.38) SIRT2BRD4KAT2BKDM4CMAPT
SCHEMBL4969216 1.00 SIRT2 (0.38) SIRT2BRD4KAT2BKDM4CMAPT
SCHEMBL4968100 0.90 BRD4 (0.37) SIRT2BRD4KAT2BMAPTTSHR
SCHEMBL4970577 0.90 BRD4 (0.37) SIRT2BRD4KAT2BMAPTTSHR
SCHEMBL4968094 0.90 BRD4 (0.37) SIRT2BRD4KAT2BMAPTTSHR
SCHEMBL4971988 0.89 KDM4C (0.41) BRD4KAT2BKDM4CMEN1KMT2A
SCHEMBL4968509 0.89 KDM4C (0.41) BRD4KAT2BKDM4CMEN1KMT2A
SCHEMBL4968506 0.89 KDM4C (0.41) BRD4KAT2BKDM4CMEN1KMT2A
SCHEMBL4969943 0.88 KMO (0.39) BRD4KDM4CMEN1KMT2A
SCHEMBL4967547 0.88 KMO (0.39) BRD4KDM4CMEN1KMT2A

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 SIRT2 2057/4885BRD4 3303/4885KAT2B 1512/4885

“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.