SCHEMBL4969672

SCHEMBL4969672

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
BRD4 O60885 5/20 0.37
KAT2B Q92831 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.33
CASP3 P42574 1/20 0.33
PHGDH O43175 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
SCHEMBL4967521 1.00 CYP3A4 (0.37) CYP3A4CYP2C19BRD4KAT2BKDM4C
SCHEMBL4967526 1.00 CYP3A4 (0.37) CYP3A4CYP2C19BRD4KAT2BKDM4C
SCHEMBL4970577 0.90 BRD4 (0.37) BRD4KAT2BALDH1A1KDM4E
SCHEMBL4968094 0.90 BRD4 (0.37) BRD4KAT2BALDH1A1KDM4E
SCHEMBL4968100 0.90 BRD4 (0.37) BRD4KAT2BALDH1A1KDM4E
SCHEMBL4971988 0.89 KDM4C (0.41) CYP3A4CYP2C19BRD4KAT2BKDM4C
SCHEMBL4968509 0.89 KDM4C (0.41) CYP3A4CYP2C19BRD4KAT2BKDM4C
SCHEMBL4968506 0.89 KDM4C (0.41) CYP3A4CYP2C19BRD4KAT2BKDM4C
SCHEMBL4971074 0.88 BRD4 (0.38) CYP3A4CYP2C19BRD4KDM4CALDH1A1
SCHEMBL4968985 0.88 BRD4 (0.38) CYP3A4CYP2C19BRD4KDM4CALDH1A1

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 CYP3A4 3089/4885CYP2C19 1884/4885BRD4 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.