SCHEMBL8170706

SCHEMBL8170706

CCc1cccc(OCCOC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.46
SOD1 P00441 1/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
TAAR1 Q96RJ0 2/20 0.40
NPC1 O15118 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
SCHEMBL15295402 0.88 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL9610288 0.87 NPSR1 (0.43) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL74478 0.86 NPSR1 (0.54) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL10224057 0.85 TAAR1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL10223981 0.83 GGPS1 (0.42) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL8057463 0.82 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL18067905 0.81 MAPK1 (0.62) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL10799020 0.81 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL4487459 0.81 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL59488 0.80 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME DEUTERX LLC (US) 2023-08-03 US disclosed
US-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same DEUTERX, LLC (US) 2022-12-27 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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 (3 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT KDM4E 2733/4885ALDH1A1 947/4885SMN1; SMN2 4547/4885
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME EGLN3, HPGDS, EGLN2 KDM4E 1112/4885ALDH1A1 2487/4885SMN1; SMN2 2161/4885
US-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same EGLN3, HPGDS, EGLN2 KDM4E 1112/4885ALDH1A1 2487/4885SMN1; SMN2 2161/4885

“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.