SCHEMBL20077971

SCHEMBL20077971

CCOC(=O)c1ccc(C2CCCC2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
KDM4E B2RXH2 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
NPC1 O15118 3/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ALOX15 P16050 2/20 0.40
ESR1 P03372 1/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL1160497 0.78 LMNA (0.55) LMNAKDM4ERAB9AALDH1A1HPGD
SCHEMBL402047 0.73 LMNA (0.51) LMNAKDM4ERAB9AALDH1A1HPGD
SCHEMBL1160309 0.72 HRH3 (0.53) LMNAKDM4ERAB9AALDH1A1HPGD
SCHEMBL1231647 0.72 LMNA (0.50) LMNAKDM4ERAB9AALDH1A1HPGD
SCHEMBL2508775 0.72 LMNA (0.50) LMNAKDM4ERAB9AALDH1A1HPGD
SCHEMBL358481 0.72 KDM4E (0.53) LMNAKDM4ERAB9AALDH1A1HPGD
SCHEMBL20077990 0.72 CA12 (0.42) LMNAKDM4ERAB9AALDH1A1NPC1
SCHEMBL1156822 0.71 ALDH1A1 (0.44) LMNAKDM4ERAB9AALDH1A1NPC1
SCHEMBL8031269 0.71 ALPL (0.51) LMNAKDM4ERAB9AALDH1A1HPGD
SCHEMBL4127272 0.71 HCAR2 (0.57) RAB9ANPC1L3MBTL1SMN1; SMN2GAA

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-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2019-10-24 US disclosed
WO-2018071526-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2018-04-19 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-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, GRPR, BID LMNA 2501/4885KDM4E 3933/4885RAB9A 725/4885

“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.