SCHEMBL5613751

SCHEMBL5613751

CCOC(=O)c1cnn(-c2ccccc2Oc2ccc(C)cc2O)c1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ HPGD P15428 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ MAPT P10636 6/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ TSHR P16473 4/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPK14 Q16539 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL5613869 0.83 ALDH1A1 (0.70) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL17844090 0.82 ALDH1A1 (0.67) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL18497701 0.79 ALDH1A1 (0.63) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL17844075 0.78 RAB9A (0.69) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL17844093 0.78 RAB9A (0.69) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL17844204 0.78 ALDH1A1 (0.72) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL18172002 0.78 ALDH1A1 (0.72) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL5613881 0.78 MAPT (0.43) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL18172073 0.77 HPGD (0.61) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL3520425 0.76 ALDH1A1 (0.69) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2

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 ALDH1A1 1406/4885HPGD 1451/4885RAB9A 2860/4885

“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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