SCHEMBL5613941

SCHEMBL5613941

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ HPGD P15428 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ APP P05067 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ ACKR3 P25106 1/20 0.41
▸ ESRRA P11474 1/20 0.41

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
SCHEMBL5613756 0.89 CA1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1CA1
SCHEMBL5613874 0.87 CA1 (0.43) CA1CA2CA9CA4
SCHEMBL5613900 0.82 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1CA1
SCHEMBL5614023 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2194020 0.79 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1CA1CA2CA9
SCHEMBL2041625 0.79 CA1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1CA1
SCHEMBL2815957 0.78 NOTUM (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1CA1
SCHEMBL12442707 0.75 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1CA1
SCHEMBL16245852 0.75 NPC1 (0.59) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL14150662 0.75 RXRA (0.51) SMN1; SMN2ALDH1A1CA1CA2CA9

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 2860/4885SMN1; SMN2 3513/4885

“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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