SCHEMBL5964603

SCHEMBL5964603

OC(CNCCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ RXFP1 Q9HBX9 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ PKM P14618 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ NCOA2 Q15596 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NCOR2 Q9Y618 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ADRB2 P07550 6/20 0.45
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 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
SCHEMBL5963776 0.88 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EMAPTPKM
SCHEMBL5964037 0.77 ADRB2 (0.71) KDM4EL3MBTL1ADRB2TDP1SMN1; SMN2
SCHEMBL2294030 0.74 ADRB2 (0.64) KDM4EL3MBTL1ADRB2TDP1SMN1; SMN2
SCHEMBL2296169 0.74 ADRB2 (0.64) KDM4EL3MBTL1ADRB2TDP1SMN1; SMN2
SCHEMBL5964602 0.73 MEN1 (0.46) ALDH1A1HSD17B10KDM4ERXFP1MAPT
SCHEMBL10720145 0.69 ADRB2 (0.77) KDM4EL3MBTL1ADRB2TDP1SMN1; SMN2
SCHEMBL4351380 0.68 LMNA (0.71) ALDH1A1KDM4EL3MBTL1ADRB2LMNA
SCHEMBL9834128 0.68 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4ERXFP1MAPT
SCHEMBL9467104 0.67 ADRB2 (0.68) KDM4EADRB2LMNATDP1SMN1; SMN2
SCHEMBL7532494 0.66 KDM4E (1.00) ALDH1A1KDM4EL3MBTL1ADRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain ASTRAZENECA AB (SE) 2006-03-09 — — US claimed
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 — — EP claimed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 — — WO claimed

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-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain CNR1, CNR2, OPRL1 ALDH1A1 806/4885HSD17B10 2668/4885KDM4E 3936/4885

“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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