SCHEMBL19630686

SCHEMBL19630686

CCOC(=O)CC(=O)CSc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
NPC1 O15118 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TP53 P04637 2/20 0.53
MAPT P10636 8/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 6/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.48
FKBP4 Q02790 1/20 0.48
FKBP5 Q13451 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47

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
SCHEMBL5860967 0.88 ALDH1A1 (0.58) KMT2AMEN1NPC1NPSR1TP53
SCHEMBL9751601 0.86 HSD17B10 (0.59) KMT2AMEN1NPC1NPSR1TP53
SCHEMBL1722192 0.84 MEN1 (0.54) KMT2AMEN1NPC1NPSR1MAPT
SCHEMBL28571148 0.84 HSD17B10 (0.55) KMT2AMEN1NPC1NPSR1MAPT
SCHEMBL7429124 0.84 SMN1; SMN2 (0.53) KMT2AMEN1NPC1NPSR1MAPT
SCHEMBL1470437 0.83 MEN1 (0.57) KMT2AMEN1NPC1NPSR1MAPT
SCHEMBL6421307 0.83 ALDH1A1 (0.54) KMT2AMEN1NPC1NPSR1MAPT
SCHEMBL6084825 0.81 NPC1 (0.54) KMT2ANPC1TP53MAPTALDH1A1
SCHEMBL10366553 0.81 NCOA1 (0.52) KMT2AMEN1NPC1NPSR1MAPT
SCHEMBL21223400 0.80 MEN1 (0.50) KMT2AMEN1NPC1NPSR1MAPT

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-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
CN-108264509-B Substituted benzothieno [2,3-c ] tetrahydropyridine derivatives, preparation method and application thereof 复旦大学 2021-05-04 CN disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 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 (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-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KMT2A 1649/4885MEN1 4864/4885NPC1 3116/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KMT2A 1891/4885MEN1 4819/4885NPC1 2375/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 KMT2A 1649/4885MEN1 4864/4885NPC1 3116/4885

“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.