SCHEMBL256730

SCHEMBL256730

CC(C)(C)OC(=O)N1CCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 6/20 0.53
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
NOTUM Q6P988 6/20 0.44
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
P2RX3 P56373 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL19193137 0.81 UCHL1 (0.45) UCHL1ALDH1A1MAPTLMNAKDM1A
SCHEMBL31235963 0.81 MAPK1 (0.44) UCHL1ALDH1A1MAPTLMNAKDM1A
SCHEMBL23063791 0.80 NOTUM (0.64) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL31014046 0.80 UCHL1 (0.52) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL1284259 0.80 UCHL1 (0.67) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL29535019 0.80 UCHL1 (0.67) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL3902861 0.80 UCHL1 (0.52) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL28299110 0.80 ALOX5 (0.46) ALDH1A1NPC1RAB9A
SCHEMBL19193156 0.80 ALDH1A1 (0.43) UCHL1ALDH1A1MAPTLMNANOTUM
SCHEMBL868725 0.79 NOTUM (0.65) UCHL1NOTUMKDM1AHDAC1HDAC6

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-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 US disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO 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 (2 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-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 UCHL1 2667/4885ALDH1A1 869/4885MAPT 3354/4885
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 UCHL1 1667/4885ALDH1A1 4512/4885MAPT 1276/4885

“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.