SCHEMBL4968334

SCHEMBL4968334

COC(=O)CCN1C(=O)C(C(C)C)Oc2ccc(C)cc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.54
CYP2C19 P33261 5/20 0.53
CYP3A4 P08684 4/20 0.53
ALDH1A1 P00352 8/20 0.52
THRB P10828 2/20 0.51
CYP2C9 P11712 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 3/20 0.45
TSHR P16473 5/20 0.44
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4970329 0.91 KDM4C (0.45) KDM4CCYP2C19CYP3A4ALDH1A1THRB
SCHEMBL4968554 0.88 TSHR (0.47) KDM4CCYP2C19CYP3A4ALDH1A1THRB
SCHEMBL4968541 0.87 KDM4C (0.54) KDM4CCYP2C19CYP3A4ALDH1A1THRB
SCHEMBL4970321 0.86 MEN1 (0.50) KDM4CCYP2C19CYP3A4ALDH1A1MEN1
SCHEMBL4969050 0.86 KDM4C (0.41) KDM4CCYP2C19CYP3A4ALDH1A1THRB
SCHEMBL4968565 0.85 KDM4C (0.41) KDM4CCYP2C19CYP3A4ALDH1A1THRB
SCHEMBL4968509 0.84 KDM4C (0.41) KDM4CCYP2C19CYP3A4ALDH1A1THRB
SCHEMBL4971988 0.84 KDM4C (0.41) KDM4CCYP2C19CYP3A4ALDH1A1THRB
SCHEMBL4968506 0.84 KDM4C (0.41) KDM4CCYP2C19CYP3A4ALDH1A1THRB
SCHEMBL4970236 0.84 KMT2A (0.40) KDM4CCYP2C19CYP3A4ALDH1A1THRB

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 KDM4C 2123/4885CYP2C19 1884/4885CYP3A4 3089/4885

“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.