SCHEMBL5614023

SCHEMBL5614023

CCOC(=O)c1cnn(-c2ccc(Oc3ccc(C)cc3O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ SCN9A Q15858 1/20 0.51
▸ MAPT P10636 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PTGDR2 Q9Y5Y4 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ICAM1 P05362 1/20 0.42
▸ SELE P16581 1/20 0.42

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
SCHEMBL5613851 0.87 MAPT (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL20300504 0.83 RAB9A (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5613881 0.82 MAPT (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5613941 0.81 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL9034514 0.79 MEN1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2808352 0.78 SCN9A (0.47) NPC1RAB9ASCN9AMAPTHTT
SCHEMBL5613869 0.77 ALDH1A1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL508225 0.76 MAPT (0.50) NPC1RAB9AALDH1A1SMN1; SMN2SCN9A
SCHEMBL24303776 0.75 PTGDR2 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8341099 0.75 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTPTGDR2

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 NPC1 905/4885RAB9A 2860/4885ALDH1A1 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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