SCHEMBL4598671

SCHEMBL4598671

COc1c(C)cc(C(=O)C(=O)C23CC4CC(CC(C4)C2)C3)cc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
P2RX7 Q99572 3/20 0.38
CNR2 P34972 5/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
FAAH O00519 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL4598670 0.82 PKM (0.49) P2RX7CNR2LMNARAB9APKM
SCHEMBL4598647 0.76 CNR2 (0.58) ALDH1A1MAPTP2RX7CNR2MEN1
SCHEMBL4598503 0.71 MEN1 (0.45) ALDH1A1P2RX7CNR2PKMFAAH
SCHEMBL4598962 0.71 PKM (0.47) ALDH1A1SMN1; SMN2MAPTP2RX7CNR2
SCHEMBL4597865 0.70 CNR2 (0.46) P2RX7CNR2LMNAPKMMEN1
SCHEMBL4599684 0.69 KDM4E (0.54) ALDH1A1P2RX7CNR2LMNATSHR
SCHEMBL4598723 0.69 ALOX15 (0.41) SMN1; SMN2MAPTP2RX7CNR2TSHR
SCHEMBL986584 0.68 ALDH1A1 (0.46) ALDH1A1PKMMEN1KMT2A
SCHEMBL11435411 0.67 TUBB4A (0.54) ALDH1A1SMN1; SMN2TSHR
SCHEMBL4599024 0.67 CNR2 (0.61) ALDH1A1MAPTCNR2RAB9AMAPK1

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
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP ALDH1A1 2594/4885SMN1; SMN2 3310/4885MAPT 33/4885

“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.