SCHEMBL9880268

SCHEMBL9880268

CC(C)c1c(C(C)C)n2cc3ccccc3c2n(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
CASP1 P29466 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
LMNA P02545 1/20 0.34
SLC16A1 P53985 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
METAP2 P50579 1/20 0.32
ALOX5 P09917 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
SCHEMBL26297268 0.79 GPR3 (0.31)
SCHEMBL22623683 0.70 BRD4 (0.43) HSD17B10KDM4ETP53ADORA3LMNA
SCHEMBL26168267 0.69 ALDH1A1 (0.32) KDM4EALDH1A1
SCHEMBL9880263 0.68 LMNA (0.35) ADORA3LMNA
SCHEMBL9880249 0.67 ALDH1A1 (0.37) GAAKDM4ETP53ADORA3LMNA
SCHEMBL26297244 0.66 GPR3 (0.35) HSD17B10GAAKDM4ELMNAALDH1A1
SCHEMBL10129281 0.66 GPR84 (0.34) HSD17B10KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL22017085 0.63 KDM4E (0.46) HSD17B10GAAKMT2AKDM4EADORA3
SCHEMBL9880269 0.62 NPSR1 (0.45) HSD17B10GAAKDM4ETP53LMNA
SCHEMBL25003705 0.62 ADORA3 (0.49) HSD17B10GAAKDM4ETP53ADORA3

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-RE46375-E1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2017-04-25 US disclosed
US-8536192-B2 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO. LTD. (JP) 2013-09-17 US disclosed
US-20120135978-A1 6,7-UNSATURATED-7-CARBAMOYL SUBSTITUTED MORPHINAN DERIVATIVE SHIONOGI & CO., LTD. 2012-05-31 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-20120135978-A1 6,7-UNSATURATED-7-CARBAMOYL SUBSTITUTED MORPHINAN DERIVATIVE HRH2, GPR27, HRH4 HSD17B10 683/4885GAA 3721/4885PKM 2951/4885

“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.