SCHEMBL5617810

SCHEMBL5617810

Cc1cc(=O)oc2cc(OCc3ccc(C(C)C)cc3)ccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.76
RAB9A P51151 3/20 0.76
CASP3 P42574 2/20 0.76
SENP8 Q96LD8 2/20 0.76
SENP7 Q9BQF6 2/20 0.76
SENP6 Q9GZR1 2/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
MAOB P27338 7/20 0.74
MAOA P21397 4/20 0.74
AR P10275 2/20 0.74
TDP1 Q9NUW8 1/20 0.73
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA4 P22748 1/20 0.68
CA5A P35218 1/20 0.68
CA7 P43166 1/20 0.68
CA5B Q9Y2D0 1/20 0.68
ACHE P22303 7/20 0.64

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
SCHEMBL16334352 0.88 NPC1 (0.79) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL16334580 0.87 NPC1 (0.83) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL16334329 0.86 NPC1 (1.00) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL16580069 0.85 NPC1 (0.79) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL16334073 0.85 MAOB (0.80) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL29724368 0.85 MAOB (1.00) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL28444530 0.85 MAOB (1.00) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL29382160 0.85 MAOB (1.00) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL107774 0.85 MAOB (1.00) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5618032 0.84 MAOB (0.77) MAOBMAOAARACHE

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
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
EP-0363793-B1 ARYL ALKOXY COUMARINS, PROCESS FOR THEIR PRODUCTION AND THERAPEUTIC AGENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-04-21 EP disclosed
US-5100914-A Monoamine Oxidase Inhibitors, Central Nervous System Disorders BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0363793-A1 Aryl alkoxy coumarins, process for their production and therapeutic agents containing them BASF Aktiengesellschaft (DE) 1990-04-18 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 NPC1 738/4885RAB9A 3058/4885CASP3 3702/4885

“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.