SCHEMBL5607392

SCHEMBL5607392

CCOC(=O)c1nc(-c2cc([N+](=O)[O-])ccc2Oc2ccc(C)cc2O)no1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ELANE P08246 4/20 0.41
F2 P00734 3/20 0.41
PLAU P00749 3/20 0.41
CTRB1 P17538 3/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.38
GSK3B P49841 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MITF O75030 1/20 0.38
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5606904 0.89 TTR (0.41) HTTMEN1KMT2AMAPTLMNA
SCHEMBL5607278 0.84 HTT (0.54) HTTMEN1KMT2AMAPTLMNA
SCHEMBL5606872 0.77 HTT (0.64) HTTMEN1KMT2AMAPTLMNA
SCHEMBL5607186 0.76 TTR (0.41) HTTMEN1KMT2AMAPTLMNA
SCHEMBL5606412 0.76 HTT (0.50) HTTMEN1KMT2AMAPTLMNA
SCHEMBL2296702 0.75 HTT (0.62) HTTMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL5606269 0.75 HTT (0.52) HTTMEN1KMT2AMAPTLMNA
SCHEMBL5606864 0.75 HTT (0.57) HTTMEN1KMT2AMAPTLMNA
SCHEMBL5606613 0.74 HTT (0.59) HTTMEN1KMT2AMAPTLMNA
SCHEMBL5607695 0.73 KDM4E (0.65) MEN1KMT2AMAPTLMNAALDH1A1

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 HTT 4799/4885MEN1 4806/4885KMT2A 3809/4885

“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.