SCHEMBL20339971

SCHEMBL20339971

COC(=O)c1ccc(-c2ccc(C3OCCO3)o2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR119 Q8TDV5 1/20 0.38
DYRK1A Q13627 1/20 0.38
PDE10A Q9Y233 1/20 0.38
APP P05067 1/20 0.37
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
TP53 P04637 1/20 0.35
PRMT1 Q99873 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
ALOX5AP P20292 1/20 0.34
NOTUM Q6P988 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
SCHEMBL20340062 0.85 KDM4E (0.40) MAPK1MEN1ALDH1A1KMT2AGPR119
SCHEMBL24955122 0.79 MAPK1 (0.53) MAPK1ALDH1A1KMT2ADYRK1APDE10A
SCHEMBL13680506 0.78 MAPK1 (0.51) MAPK1MEN1ALDH1A1KMT2ADYRK1A
SCHEMBL20339324 0.74 ALDH1A1 (0.51) MAPK1ALDH1A1DYRK1AHPGDKDM4E
SCHEMBL13680898 0.70 MAPK1 (0.43) MAPK1ALDH1A1DYRK1APDE10AAPP
SCHEMBL27176217 0.70 AXL (0.58) MAPK1MEN1ALDH1A1KMT2ADYRK1A
SCHEMBL29108370 0.70 MAPK1 (0.51) MAPK1KMT2AKDM4EL3MBTL1TDP1
SCHEMBL2645890 0.69 MAPK1 (0.42) MAPK1ALDH1A1PDE10AHPGDKDM4E
SCHEMBL38656583 0.68 MAPK1 (0.57) MAPK1MEN1ALDH1A1KMT2AGPR119
SCHEMBL254303 0.68 MAPK1 (0.57) MAPK1MEN1ALDH1A1KMT2AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 WO disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 MAPK1 2498/4885MEN1 3711/4885ALDH1A1 1447/4885

“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.