SCHEMBL5614060

SCHEMBL5614060

Cc1ccc(Oc2ccccc2-n2cc(C(=O)O)nn2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ESRRA P11474 1/20 0.37

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
SCHEMBL5613885 0.89 NOTUM (0.44) KCNMA1HDAC8CA2CA5ACA9
SCHEMBL5613900 0.87 SMN1; SMN2 (0.47) CA2CA9ESRRA
SCHEMBL5613874 0.81 CA1 (0.43) CA2CA9
SCHEMBL5613724 0.80 MAPT (0.48) —
SCHEMBL28034860 0.78 HDAC8 (0.50) KCNMA1HDAC8
SCHEMBL15882889 0.78 CA2 (0.48) CA2CA5ACA9ESRRA
SCHEMBL5607411 0.75 KMT2A (0.56) —
SCHEMBL2820052 0.74 KCNMA1 (0.53) KCNMA1CA2CA9ESRRA
SCHEMBL17666318 0.73 KDM4E (0.49) KCNMA1CA2CA9ESRRA
SCHEMBL71210 0.73 FLT3 (0.51) KCNMA1CA2CA5ACA9ESRRA

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-1838300-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS Emergent Product Development Gaithersburg Inc. (US) 2007-10-03 — — EP claimed
US-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG, INC. 2006-09-21 — — US claimed
WO-2006071471-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2006-07-06 — — WO claimed
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 KCNMA1 4194/4885BRD4 438/4885HDAC8 1249/4885

“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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