SCHEMBL3059360

SCHEMBL3059360

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
HSD17B10 Q99714 6/20 0.64
KMT2A Q03164 5/20 0.64
CYP2C9 P11712 5/20 0.64
CYP1A2 P05177 5/20 0.64
CYP3A4 P08684 4/20 0.64
CYP2C19 P33261 4/20 0.64
ADORA3 P0DMS8 4/20 0.64
ALDH1A1 P00352 4/20 0.64
ABCB11 O95342 4/20 0.64
HIF1A Q16665 3/20 0.64
MAPT P10636 3/20 0.64
HPGD P15428 3/20 0.64
TSHR P16473 3/20 0.64
LMNA P02545 3/20 0.64
SCN1A P35498 3/20 0.64
SCN5A Q14524 3/20 0.64
SCN2A Q99250 3/20 0.64
SCN3A Q9NY46 3/20 0.64
CACNA1F O60840 3/20 0.64

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
SCHEMBL9401663 0.95 KDM4E (0.58) KDM4EHSD17B10KMT2ACYP2C9CYP1A2
SCHEMBL11829270 0.92 CYP2C9 (0.67) KDM4EHSD17B10KMT2ACYP2C9CYP1A2
SCHEMBL11004457 0.87 CYP1A2 (0.68) KDM4EHSD17B10KMT2ACYP2C9CYP1A2
SCHEMBL11004464 0.87 CYP1A2 (0.68) KDM4EHSD17B10KMT2ACYP2C9CYP1A2
SCHEMBL2996737 0.86 MAPT (0.70) KDM4EHSD17B10KMT2ACYP2C9CYP1A2
SCHEMBL7814723 0.85 MAPT (0.53) KDM4EHSD17B10KMT2ACYP2C9CYP1A2
SCHEMBL2995982 0.85 NR3C2 (0.60) KDM4EHSD17B10KMT2ACYP2C9CYP1A2
SCHEMBL9434276 0.84 KDM4E (0.59) KDM4EHSD17B10KMT2ACYP2C9CYP1A2
SCHEMBL9830581 0.84 CACNA1B (0.63) KMT2AADORA3CACNA1CCACNA1BMEN1
SCHEMBL9830577 0.84 CACNA1B (0.63) KMT2AADORA3CACNA1CCACNA1BMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 US claimed
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 US disclosed
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 US disclosed
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 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-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS NR3C2, MC2R, NR3C1 KDM4E 3139/4885HSD17B10 408/4885KMT2A 3249/4885

“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.