SCHEMBL13826528

SCHEMBL13826528

CC[C@H](C)NC(=O)C[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2C(C)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.47
CYP2D6 P10635 7/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 4/20 0.47
CYP3A4 P08684 4/20 0.47
ADRA2A P08913 2/20 0.47
DRD2 P14416 2/20 0.47
ADRA2B P18089 2/20 0.47
DRD1 P21728 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
DRD3 P35462 2/20 0.47
HTR2B P41595 2/20 0.47
RECQL P46063 2/20 0.47
HTR6 P50406 2/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL12497372 0.92 MEN1 (0.50) HSD17B10CYP2D6MEN1KMT2AKDM4E
SCHEMBL24635373 0.72 HTR2A (0.67) HSD17B10CYP2D6MEN1KMT2AKDM4E
SCHEMBL30876125 0.72 HTR2A (0.67) HSD17B10CYP2D6MEN1KMT2AKDM4E
SCHEMBL30027791 0.72 HTR2A (0.67) HSD17B10CYP2D6MEN1KMT2AKDM4E
SCHEMBL30027614 0.71 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AKDM4E
SCHEMBL7517139 0.71 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AKDM4E
SCHEMBL30876136 0.71 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AKDM4E
SCHEMBL24635619 0.71 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AKDM4E
SCHEMBL24635620 0.71 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AKDM4E
SCHEMBL30876124 0.71 HSD17B10 (0.86) HSD17B10CYP2D6MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289571-A1 POLYMERIC CONJUGATES OF AROMATIC AMINE CONTAINING COMPOUNDS INCLUDING RELEASABLE UREA LINKER ENZON PHARMACEUTICALS, INC. (US) 2012-11-15 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-20120289571-A1 POLYMERIC CONJUGATES OF AROMATIC AMINE CONTAINING COMPOUNDS INCLUDING RELEASABLE UREA LINKER AURKA, DSTYK, TYR HSD17B10 4271/4885CYP2D6 3165/4885MEN1 3259/4885

“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.