SCHEMBL21136256

SCHEMBL21136256

OCC1CCCN(c2ccc3c(c2)OCO3)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NOTUM Q6P988 1/20 0.42
CMA1 P23946 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 6/20 0.39
TSHR P16473 2/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL8809912 0.81 KDM4E (0.53) KDM4EMAPK1NPC1RAB9ANOTUM
SCHEMBL6270258 0.76 ALDH1A1 (0.60) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL14921681 0.76 NOTUM (0.52) MAPK1RAB9ANOTUMMAPTALDH1A1
SCHEMBL28789434 0.76 CMA1 (0.44) KDM4ENPC1RAB9ACMA1POLB
SCHEMBL24434520 0.76 CMA1 (0.56) KDM4ENPC1RAB9ACMA1POLB
SCHEMBL25855629 0.75 ESR1 (0.45) POLBKMT2APTPN1
SCHEMBL20533940 0.75 ALDH1A1 (0.47) KDM4ENPC1RAB9ANOTUMCMA1
SCHEMBL21136258 0.75 ALDH1A1 (0.47) KDM4ENPC1RAB9ANOTUMCMA1
SCHEMBL20533939 0.75 ALDH1A1 (0.47) KDM4ENPC1RAB9ANOTUMCMA1
SCHEMBL6270367 0.74 ALDH1A1 (0.47) KDM4EMAPK1ALDH1A1TSHRMEN1

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
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

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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation F12, F2, F3 KDM4E 2886/4885MAPK1 1667/4885NPC1 4003/4885

“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.