SCHEMBL13528451

SCHEMBL13528451

CC(C)(C)OC(=O)NCCN1C(=O)C2C3C=CC(C4C=CC43)C2C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
ALDH1A1 P00352 6/20 0.40
AKT1 P31749 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GFER P55789 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MALT1 Q9UDY8 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
SCHEMBL13528455 0.85 TDP1 (0.43) DRD2ALDH1A1AKT1TDP1GFER
SCHEMBL13528427 0.84 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL14344456 0.84 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL18666981 0.84 OPRM1 (0.47) DRD2ALDH1A1AKT1TDP1SMN1; SMN2
SCHEMBL13528300 0.84 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL22863834 0.84 OPRM1 (0.47) DRD2ALDH1A1AKT1TDP1SMN1; SMN2
SCHEMBL24796130 0.81 TDP1 (0.45) DRD2ALDH1A1AKT1TDP1GFER
SCHEMBL14960236 0.79 NFKB1 (0.43) DRD2ALDH1A1AKT1TDP1SMN1; SMN2
SCHEMBL21389393 0.79 EPHX1 (0.46) DRD2ALDH1A1AKT1TDP1GFER
SCHEMBL21389155 0.79 CACNA1H (0.44) DRD2ALDH1A1AKT1TDP1GFER

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-8552183-B2 Process for the covalent coupling of two molecules by means of a diels-alder reaction with inverse electron requirement DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2013-10-08 US disclosed
US-8552183-B2 Process for the covalent coupling of two molecules by means of a diels-alder reaction with inverse electron requirement DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2013-10-08 US disclosed
US-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2010-01-21 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-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT CX3CR1, NR3C2, NR4A2 DRD2 73/4885ALDH1A1 2312/4885AKT1 2143/4885

“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.