SCHEMBL5607201

SCHEMBL5607201

COc1cc(C)ccc1Oc1ccc(C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.65
ALDH1A1 P00352 9/20 0.56
TSHR P16473 1/20 0.56
ACHE P22303 1/20 0.53
CYP2A6 P11509 2/20 0.52
AR P10275 2/20 0.51
LMNA P02545 2/20 0.50
FDPS P14324 1/20 0.49
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
AOX1 Q06278 1/20 0.47
KDM4E B2RXH2 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 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
SCHEMBL27670275 0.90 TTR (0.74) TTRALDH1A1TSHRCYP2A6AR
SCHEMBL17955067 0.88 TTR (0.81) TTRALDH1A1TSHRCYP2A6LMNA
SCHEMBL17508149 0.87 TTR (0.69) TTRALDH1A1TSHRCYP2A6LMNA
SCHEMBL17258622 0.84 ACHE (0.68) TTRALDH1A1ACHEARMAPT
SCHEMBL31070290 0.84 ALDH1A1 (0.66) TTRALDH1A1TSHRCYP2A6AR
SCHEMBL17508233 0.83 CYP2A6 (0.50) TTRALDH1A1TSHRCYP2A6LMNA
SCHEMBL26936583 0.83 TTR (0.79) TTRALDH1A1TSHRCYP2A6LMNA
SCHEMBL11130090 0.81 TTR (0.61) TTRALDH1A1TSHRCYP2A6AR
SCHEMBL17521500 0.81 CYP2A6 (0.47) TTRALDH1A1TSHRCYP2A6LMNA
SCHEMBL5606623 0.81 ALDH1A1 (0.51) TTRALDH1A1CYP2A6ARLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
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 TTR 4114/4885ALDH1A1 1406/4885TSHR 2734/4885

“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.