SCHEMBL4414669

SCHEMBL4414669

CCCCCOc1cc2cc(C(=O)O)c(=O)[nH]c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.57
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ SRD5A1 P18405 1/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ CNR1 P21554 3/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ SMPD1 P17405 2/20 0.41
▸ S1PR3 Q99500 1/20 0.41

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
SCHEMBL4416433 0.89 DYRK1A (0.50) CNR2PDE3BPDE3ACNR1DYRK1A
SCHEMBL10318325 0.88 ALDH1A1 (0.52) CNR2KDM4EALDH1A1GAAPOLB
SCHEMBL10319010 0.88 ALDH1A1 (0.52) CNR2KDM4EALDH1A1GAAPOLB
SCHEMBL10318742 0.86 KDM4E (0.64) CNR2KDM4EALDH1A1GAAPOLB
SCHEMBL10320933 0.85 ALDH1A1 (0.49) CNR2KDM4EALDH1A1GAAPOLB
SCHEMBL7222671 0.84 SRD5A1 (0.65) CNR2KDM4EALDH1A1SRD5A1SRD5A2
SCHEMBL10321066 0.84 KDM4E (0.52) CNR2KDM4EALDH1A1GAAPOLB
SCHEMBL10317979 0.80 SRD5A1 (0.73) KDM4EALDH1A1GAAPOLBSRD5A1
SCHEMBL11952534 0.80 DYRK1A (0.53) CNR2KDM4EALDH1A1GAASRD5A1
SCHEMBL10318463 0.79 KDM4E (0.51) KDM4EALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof JAPAN TOBACCO, INC (JP) 2003-10-09 — — US claimed
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 claimed
EP-1142877-A1 2-OXOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2001-10-10 — — EP claimed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 — — EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 — — US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 — — EP 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-20030232855-A1 Therapeutic agent for allergic disease JAPAN TOBACCO INC. 2003-12-18 — — 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 (4 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-20030232855-A1 Therapeutic agent for allergic disease CNR1, CNR2, HRH4 CNR2 2/4885KDM4E 865/4885ALDH1A1 1051/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CNR2 2/4885KDM4E 2840/4885ALDH1A1 4118/4885
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof CNR2, CNR1, OPRL1 CNR2 1/4885KDM4E 1771/4885ALDH1A1 2343/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885KDM4E 3245/4885ALDH1A1 3580/4885

“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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