SCHEMBL820808

SCHEMBL820808

CCCCC(C(=O)OCCC)[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
POLB P06746 2/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PDPK1 O15530 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL820185 0.95 PDPK1 (0.44) LMNACYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL820612 0.92 LMNA (0.47) LMNACYP3A4TSHRKMT2AMEN1
SCHEMBL820183 0.90 L3MBTL1 (0.43) LMNACYP2C9CYP2C19KMT2AMEN1
SCHEMBL820398 0.90 LMNA (0.43) LMNACYP3A4KMT2AMEN1NPC1
SCHEMBL820402 0.88 L3MBTL1 (0.55) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820397 0.85 KMT2A (0.42) LMNACYP3A4TSHRKMT2AMEN1
SCHEMBL820191 0.85 HTR7 (0.45) LMNACYP3A4KMT2AMEN1NPC1
SCHEMBL820182 0.85 ALOX5 (0.42) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820228 0.84 LMNA (0.49) LMNACYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL820203 0.83 HTR7 (0.48) LMNACYP3A4TSHRKMT2AMEN1

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
US-8222177-B2 Catalyst and reaction process JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-17 US disclosed
US-20110054190-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-03 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-20110054190-A1 CATALYST AND REACTION PROCESS ME1, MAL2, ME2 LMNA 4105/4885CYP2C9 36/4885CYP2C19 148/4885

“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.