SCHEMBL22462387

SCHEMBL22462387

CC(C)C1CCC(NC(=O)CC(CC(N)=O)C(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 13/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.35
HCRTR2 O43614 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL22462423 0.87 CYP3A4 (0.37) SMYD3CYP3A4HPGDCYP2C19RAB9A
SCHEMBL22462395 0.86 HPGD (0.37) SMYD3CYP3A4HPGDCYP2C19RAB9A
SCHEMBL22462431 0.84 SMYD3 (0.36) SMYD3CYP3A4HPGDCYP2C19RAB9A
SCHEMBL2450410 0.81 CYP3A4 (0.41) SMYD3CYP3A4HPGDCYP2C19RAB9A
SCHEMBL12384535 0.80 RAB9A (0.43) SMYD3CYP3A4HPGDCYP2C19RAB9A
SCHEMBL15247301 0.80 SMYD3 (0.38) SMYD3CYP3A4HPGDCYP2C19RAB9A
SCHEMBL18232512 0.80 SMYD3 (0.38) SMYD3CYP3A4HPGDCYP2C19RAB9A
SCHEMBL22734369 0.78 MAPT (0.39) SMYD3HPGDCYP2C19KMT2A
SCHEMBL22462398 0.77 TP53 (0.40) HPGDCYP2C19KMT2A
SCHEMBL22462392 0.77 TP53 (0.40) HPGDCYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200384678-A1 DECORATIVE FILM AND METHOD FOR MANUFACTURING DECORATIVE MOLDED ARTICLE USING SAME JAPAN POLYPROPYLENE CORPORATION (JP) 2020-12-10 US disclosed
EP-3715092-A1 DECORATIVE FILM AND METHOD FOR MANUFACTURING DECORATIVE MOLDED ARTICLE USING SAME Japan Polypropylene Corporation (JP) 2020-09-30 EP disclosed
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-10-06 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-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 SMYD3 3664/4885CYP3A4 478/4885HPGD 1549/4885

“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.