SCHEMBL9975588

SCHEMBL9975588

O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCc1ccccc1)Nc1nccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HRH1 P35367 1/20 0.53
▸ GAA P10253 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ PKM P14618 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ HPGD P15428 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL18956343 0.85 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2L3MBTL1LMNAUSP2
SCHEMBL1458948 0.83 PKM (0.67) ALDH1A1SMN1; SMN2L3MBTL1LMNAUSP2
SCHEMBL13681851 0.81 CYP2C9 (0.56) ALDH1A1LMNAUSP2GAAMAPK1
SCHEMBL24359465 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1LMNAUSP2
SCHEMBL15480444 0.75 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNAUSP2GAA
SCHEMBL14255024 0.75 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2LMNAUSP2GAA
SCHEMBL9975566 0.75 TRPV1 (0.71) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL18956279 0.75 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2L3MBTL1LMNAUSP2
SCHEMBL4687548 0.75 FFAR2 (0.74) ALDH1A1SMN1; SMN2L3MBTL1LMNAUSP2
SCHEMBL21533450 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2L3MBTL1LMNAUSP2

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-8202893-B2 Cannabinergic lipid ligands UNIVERSITY OF CONNECTICUT (US) 2012-06-19 — — US disclosed
US-8202893-B2 Cannabinergic lipid ligands UNIVERSITY OF CONNECTICUT (US) 2012-06-19 — — US disclosed
US-20090163557-A1 Cannabinergic Lipid Ligands NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-25 — — US disclosed
US-20090163557-A1 Cannabinergic Lipid Ligands NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-25 — — 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 (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-20090163557-A1 Cannabinergic Lipid Ligands FAAH, FAAH2, CNR2 ALDH1A1 2311/4885SMN1; SMN2 3576/4885L3MBTL1 4035/4885

“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