SCHEMBL6798339

SCHEMBL6798339

CCCCCOc1c(OC)ccc(C=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.44
TLR4 O00206 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
SMPD1 P17405 3/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL8089491 0.83 SMPD1 (0.41) CNR2TLR4NPC1RAB9ASMN1; SMN2
SCHEMBL11396901 0.80 CYP19A1 (0.47) TUBB1ALDH1A1CYP19A1
SCHEMBL636327 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5903298 0.79 MEN1 (0.45) CNR2NPC1RAB9ASMN1; SMN2TUBB1
SCHEMBL2821669 0.78 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8085046 0.76 CNR2 (0.52) CNR2SMPD1ALDH1A1
SCHEMBL7868898 0.76 TLR4 (0.47) TLR4SMN1; SMN2SMPD1ALDH1A1L3MBTL1
SCHEMBL17243236 0.76 TLR4 (0.47) TLR4SMN1; SMN2SMPD1ALDH1A1L3MBTL1
SCHEMBL636533 0.75 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5885093 0.75 TUBB1 (0.59) RAB9ASMN1; SMN2TUBB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-6806276-B2 SIDE EFFECT REDUCTION ON CENTRAL NERVOUS SYSTEM; IMMUNOSUPPRESSANTS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS JAPAN TOBACCO INC. (JP) 2004-10-19 US disclosed
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof JAPAN TOBACCO, INC (JP) 2003-10-09 US disclosed
US-6509352-B1 Selectively act on cannabinoid receptors, particularly on peripheral type cannabinoid receptors, and have fewer side effects on the central nervous system, having great immunosuppressive action, anti-inflammatory action or JAPAN TOBACCO INC. (JP) 2003-01-21 US disclosed
EP-1142877-A1 2-OXOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2001-10-10 EP 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-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof CNR2, CNR1, OPRL1 CNR2 1/4885TLR4 541/4885NPC1 670/4885

“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.