SCHEMBL5613900

SCHEMBL5613900

CCOC(=O)c1cn(-c2ccccc2Oc2ccc(C)cc2O)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SPR P35270 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ESRRA P11474 1/20 0.41
▸ PFKFB3 Q16875 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38

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) CA1CA2CA9CA12ESRRA
SCHEMBL5614060 0.87 KCNMA1 (0.41) CA2CA9ESRRA
SCHEMBL5613941 0.82 NPC1 (0.52) SMN1; SMN2HPGDALDH1A1LMNAGLA
SCHEMBL5613881 0.81 MAPT (0.43) SMN1; SMN2HPGDALDH1A1LMNAGLA
SCHEMBL17666316 0.77 SMN1; SMN2 (0.53) SMN1; SMN2HPGDALDH1A1LMNASPR
SCHEMBL1422761 0.75 ALDH1A1 (0.54) SMN1; SMN2HPGDALDH1A1LMNASPR
SCHEMBL5613751 0.73 ALDH1A1 (0.56) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL1646873 0.73 ALDH1A1 (0.52) SMN1; SMN2HPGDALDH1A1LMNASPR
SCHEMBL5613724 0.72 MAPT (0.48) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL72211 0.72 ALDH1A1 (0.63) SMN1; SMN2HPGDALDH1A1LMNASPR

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 SMN1; SMN2 3513/4885HPGD 1451/4885ALDH1A1 1406/4885

“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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