SCHEMBL20533939

SCHEMBL20533939

OC[C@H]1CCCN1c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CDK1 P06493 1/20 0.45
NOTUM Q6P988 1/20 0.44
CMA1 P23946 1/20 0.43
ACVR1 Q04771 1/20 0.42
FAAH O00519 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOS2 P35228 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
KMT2A Q03164 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
SCHEMBL21136258 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ECDK1NOTUMCMA1
SCHEMBL20533940 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ECDK1NOTUMCMA1
SCHEMBL24435472 0.76 TSHR (0.46) ALDH1A1CMA1KMT2A
SCHEMBL21136256 0.75 KDM4E (0.44) ALDH1A1KDM4ENOTUMCMA1NPC1
SCHEMBL24434911 0.74 CMA1 (0.43) ALDH1A1KDM4ECMA1KMT2A
SCHEMBL2942001 0.73 FFAR1 (0.35)
SCHEMBL2934509 0.73 FFAR1 (0.39)
SCHEMBL2940630 0.72 FFAR1 (0.40) KDM4ECDK1
SCHEMBL2933528 0.72 DPP4 (0.40)
SCHEMBL2941404 0.72 FFAR1 (0.43) RAB9A

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
EP-3371196-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIV MONTREAL (CA) 2021-10-27 EP disclosed
US-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 US disclosed
US-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 US disclosed
US-20180298030-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION Université de Montréal (CA) 2018-10-18 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 (2 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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation F12, F2, F3 ALDH1A1 1559/4885KDM4E 2886/4885CDK1 216/4885
US-20180298030-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION F12, F2, F3 ALDH1A1 1559/4885KDM4E 2886/4885CDK1 216/4885

“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.