SCHEMBL29913658

SCHEMBL29913658

CN(C)Cc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.58
▸ MAOB P27338 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ MIF P14174 8/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ GLA P06280 4/20 0.54
▸ GAA P10253 4/20 0.54
▸ S1PR4 O95977 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ S1PR1 P21453 2/20 0.54
▸ ESR2 Q92731 1/20 0.51
▸ CA9 Q16790 2/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ PFKFB3 Q16875 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49

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
SCHEMBL8871071 0.88 MAOA (0.57) MAOBPOLBKDM4EGLAGAA
SCHEMBL220708 0.84 HSD17B3 (0.65) HSD17B3MAOBPOLBMIFMEN1
SCHEMBL30405545 0.84 HSD17B3 (0.65) HSD17B3MAOBPOLBMIFMEN1
SCHEMBL29066603 0.81 ESR2 (0.61) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL15082511 0.80 HSD17B3 (0.59) HSD17B3MAOBPOLBMIFMEN1
SCHEMBL16283606 0.80 POLB (0.59) HSD17B3MAOBPOLBMIFMEN1
SCHEMBL6037595 0.80 POLB (0.59) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL28164061 0.80 POLB (0.59) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL15065807 0.80 MAOB (0.56) MAOBPOLBMEN1KMT2AKDM4E
SCHEMBL15084975 0.78 POLB (0.58) HSD17B3POLBMIFMEN1KMT2A

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-20220380331-A1 TREATMENT OF CONDITIONS OF THE NERVOUS SYSTEM THE UNIVERSITY OF LEEDS (GB) 2022-12-01 — — US disclosed
CN-115023222-A Treatment of neurological disorders J·夸克 2022-09-06 — — CN 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-20220380331-A1 TREATMENT OF CONDITIONS OF THE NERVOUS SYSTEM MGMT, PMP22, GAP43 HSD17B3 474/4885MAOB 128/4885POLB 2460/4885

“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.

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