SCHEMBL5613756

SCHEMBL5613756

COC(=O)c1cn(-c2ccc(Oc3ccc(C)cc3O)cc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.55
▸ CA2 P00918 5/20 0.55
▸ CA9 Q16790 5/20 0.55
▸ CA12 O43570 3/20 0.55
▸ NOTUM Q6P988 3/20 0.53
▸ APP P05067 3/20 0.42
▸ CA4 P22748 2/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACKR3 P25106 2/20 0.40
▸ ESRRA P11474 1/20 0.40
▸ HDAC8 Q9BY41 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
SCHEMBL5613941 0.89 NPC1 (0.52) CA1CA2CA9CA12APP
SCHEMBL5613874 0.89 CA1 (0.43) CA1CA2CA9CA4
SCHEMBL5613885 0.81 NOTUM (0.44) CA1CA2CA9CA12NOTUM
SCHEMBL5613851 0.73 MAPT (0.52) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14788707 0.73 CA1 (0.67) CA1CA2CA9CA12NOTUM
SCHEMBL5905829 0.72 KMT2A (0.50) NOTUMALDH1A1
SCHEMBL21776821 0.72 NOTUM (0.75) CA1CA2CA9CA12NOTUM
SCHEMBL12571591 0.72 CA12 (0.66) CA1CA2CA9CA12NOTUM
SCHEMBL5614023 0.72 NPC1 (0.52) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12571599 0.71 CA1 (0.64) CA1CA2CA9CA12NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838300-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS Emergent Product Development Gaithersburg Inc. (US) 2007-10-03 — — EP disclosed
US-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG, INC. 2006-09-21 — — US disclosed
WO-2006071471-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2006-07-06 — — WO 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-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents TYR, NFE2L2, CYP1A1 CA1 4832/4885CA2 2590/4885CA9 4004/4885

“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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