SCHEMBL21465802

SCHEMBL21465802

CC(C)CCc1cccc(=O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.46
OPRK1 P41145 5/20 0.46
OPRD1 P41143 4/20 0.46
DHODH Q02127 1/20 0.41
MAP1LC3B Q9GZQ8 3/20 0.41
MAP1LC3A Q9H492 3/20 0.41
DAO P14920 3/20 0.41
HDAC4 P56524 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CYP3A4 P08684 2/20 0.40
CA5A P35218 2/20 0.40
HTT P42858 2/20 0.40
CA9 Q16790 2/20 0.40
MDM4 O15151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4165394 0.82 GABRA1 (0.50) OPRK1MAP1LC3BMAP1LC3AHDAC4HDAC2
SCHEMBL18091143 0.80 CNR1 (0.50) DAOHTTALDH1A1HPGDDRD2
SCHEMBL9579004 0.79 OPRM1 (0.50) OPRM1OPRK1OPRD1MAP1LC3BMAP1LC3A
SCHEMBL18091153 0.79 CNR1 (0.48) DAOHTTALDH1A1HPGDDRD2
SCHEMBL18091148 0.79 CNR1 (0.48) DAOHTTALDH1A1HPGDDRD2
SCHEMBL18091149 0.79 CNR1 (0.48) DAOHTTALDH1A1HPGDDRD2
SCHEMBL18091141 0.79 CNR1 (0.48) DAOHTTALDH1A1HPGDDRD2
SCHEMBL18091152 0.79 CNR1 (0.48) DAOHTTALDH1A1HPGDDRD2
SCHEMBL18378383 0.79 CNR1 (0.48) DAOHTTALDH1A1HPGDDRD2
SCHEMBL104012 0.78 OPRK1 (0.70) OPRM1OPRK1OPRD1DRD2DRD1

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-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-06-03 US disclosed
EP-3773900-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF The Board of Trustees of the University of Illinois (US) 2021-02-17 EP disclosed
WO-2019200314-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-10-17 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 (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-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP27A1, CYP27B1, HSD17B7 OPRM1 2931/4885OPRK1 1023/4885OPRD1 2284/4885

“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.