SCHEMBL10102192

SCHEMBL10102192

Cc1ccc(C(=O)[C@H]2CC[C@H](CCO)CC2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK14 Q16539 4/20 0.39
GRM1 Q13255 3/20 0.38
KDM2B Q8NHM5 3/20 0.38
ACHE P22303 1/20 0.38
ESR2 Q92731 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MGLL Q99685 2/20 0.36
LDLR P01130 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL10102194 1.00 MEN1 (0.39) MEN1KMT2ACYP2D6MAPK14GRM1
SCHEMBL10102187 1.00 MEN1 (0.39) MEN1KMT2ACYP2D6MAPK14GRM1
SCHEMBL659838 0.83 PDE4B (0.48) MEN1KMT2AKDM2BNPC1RAB9A
SCHEMBL10107127 0.83 PDE4B (0.48) MEN1KMT2AKDM2BNPC1RAB9A
SCHEMBL4786846 0.83 PDE4B (0.48) MEN1KMT2AKDM2BNPC1RAB9A
SCHEMBL10102186 0.80 MAPK14 (0.37) MEN1KMT2ACYP2D6MAPK14GRM1
SCHEMBL15851142 0.74 MEN1 (0.49) MEN1KMT2ACYP2D6GRM1KDM2B
SCHEMBL10101775 0.72 MEN1 (0.40) MEN1KMT2ACYP2D6ACHEESR2
SCHEMBL10101776 0.72 MEN1 (0.40) MEN1KMT2ACYP2D6ACHEESR2
SCHEMBL660730 0.71 PDE4B (0.45) MEN1KMT2AKDM2BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 MEN1 3782/4885KMT2A 4832/4885CYP2D6 806/4885

“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.