SCHEMBL31023870

SCHEMBL31023870

O=C(c1ccc2c(c1)COCO2)c1ccc2c(c1)COCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ AKR1C2 P52895 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL3456941 0.86 KDM4E (0.53) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL3642753 0.86 TSHR (0.53) SRD5A2ALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL13684320 0.86 ALDH1A1 (0.42) SRD5A2ALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL5797738 0.82 NPC1 (0.50) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL3641137 0.79 PRKCI (0.63) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL30792604 0.76 CYP3A4 (0.55) ALDH1A1MAPTRAB9AHPGDMEN1
SCHEMBL4824941 0.75 SRD5A2 (0.82) SRD5A2ALDH1A1MAPK1MAPTNPSR1
SCHEMBL11022359 0.74 PRKCI (0.66) ALDH1A1AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL31023918 0.73 OPRD1 (0.36) ALDH1A1AKR1C3AKR1C2AKR1C1MAPK1
SCHEMBL10843775 0.72 CYP1A2 (0.56) MAPTNPSR1RAB9ANPC1MEN1

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-4665718-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF Apogee Pharmaceuticals, Inc. (CA) 2025-12-24 — — EP disclosed
US-12378231-B2 Small molecules as monoacylglycerol lipase (MAGL) inhibitors, compositions and use thereof APOGEE PHARMACEUTICALS, INC. (CA) 2025-08-05 — — US disclosed
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF APOGEE PHARMACEUTICALS, INC. (CA) 2024-09-05 — — US disclosed
WO-2024168426-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF APOGEE PHARMACEUTICALS, INC. (CA) 2024-08-22 — — 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 (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-12378231-B2 Small molecules as monoacylglycerol lipase (MAGL) inhibitors, compositions and use thereof MGLL, PNLIP, LPL SRD5A2 3870/4885ALDH1A1 530/4885AKR1C3 3324/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL SRD5A2 3870/4885ALDH1A1 530/4885AKR1C3 3324/4885

“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.

Send feedback