SCHEMBL6257686

SCHEMBL6257686

CCN(Cc1ccccc1Oc1ccccc1)c1ccc(C(=O)OC)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 7/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ OPRK1 P41145 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LPAR1 Q92633 1/20 0.40
▸ LPAR5 Q9H1C0 1/20 0.40
▸ HCAR3 P49019 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL6260236 0.90 HCAR3 (0.51) TSPOSLC6A2SLC6A4OPRK1LPAR1
SCHEMBL6256177 0.83 HCAR3 (0.41) CYP1A2CYP2C9CYP2C19NPSR1MAPT
SCHEMBL6262892 0.83 SLC6A4 (0.45) TSPOSLC6A2SLC6A4OPRK1ALB
SCHEMBL6260280 0.82 AOC3 (0.42) MAPTRAB9AHCAR3KDM4EMAPK1
SCHEMBL1905283 0.80 L3MBTL1 (0.45) MAPTRAB9AHCAR3KDM4EMAPK1
SCHEMBL7662467 0.76 CCR5 (0.45) CYP1A2RAB9A
SCHEMBL8162467 0.76 RXRA (0.55) NPSR1HCAR3MEN1KMT2A
SCHEMBL6259172 0.76 SLC6A4 (0.47) TSPOSLC6A2SLC6A4OPRK1MAPT
SCHEMBL6256493 0.75 CCR6 (0.42) CYP1A2CYP2C9CYP2C19NPSR1HCAR3
SCHEMBL7673274 0.74 GBA1 (0.44) CYP1A2CYP2C9CYP2C19MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752421-B1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ASTRAZENECA AB (SE) 2005-10-12 — — EP disclosed
US-6787562-B2 ANALGESICS; OSTEOPOROSIS ZENECA LTD. (GB) 2004-09-07 — — US disclosed
US-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists SYNGENTA LIMITED (GB) 2003-07-24 — — US disclosed
US-6057345-A ANTAGONISTS OF THE PAIN ENHANCING EFFECTS OF E-TYPE PROSTAGLANDINS; USED IN PAIN RELIEF ZENECA LIMITED (GB) 2000-05-02 — — US disclosed
US-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 — — US disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 — — 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-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists PTGER1, PTGDR, PTGER2 TSPO 2496/4885SLC6A2 3552/4885SLC6A4 2787/4885

“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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