SCHEMBL6832306

SCHEMBL6832306

[CH]C(C)(c1ccc(Oc2ccccc2N)cc1)c1ccc(Oc2ccccc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
RCE1 Q9Y256 1/20 0.51
IKBKB O14920 1/20 0.49
BRAF P15056 1/20 0.49
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 2/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 1/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HTT P42858 1/20 0.42
TLR4 O00206 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
SCHEMBL28684533 0.87 GAA (0.53) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL30354049 0.87 GAA (0.53) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL5604032 0.87 GAA (0.53) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL144019 0.87 GAA (0.53) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL2285909 0.82 GAA (0.69) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL6362905 0.81 GAA (0.47) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL1271606 0.80 GAA (0.67) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL6289955 0.80 GAA (0.67) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL1270588 0.80 GAA (0.67) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL6289248 0.80 GAA (0.67) GAARCE1IKBKBBRAFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747170-B2 LEUCO DYES; MOLECULE HAVING AT LEAST TWO AROMATIC RINGS, TWO CARBOXYL GROUPS, AND EITHER TWO AMIDES OR TWO ESTERS; PRESERVATION STABILITY RICOH COMPANY, LTD. (JP) 2004-06-08 US disclosed
US-20040071187-A1 Thermosensitive recording material and color developer compound therefor HAYAKAWA KUNIO (JP) 2004-04-15 US disclosed
US-6180560-B1 LEUCO DYE AND DYE DEVELOPER OF AROMATIC AMIDE OR ESTER; PRESERVATION STABILITY RICOH COMPANY, LTD. (JP) 2001-01-30 US 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-20040071187-A1 Thermosensitive recording material and color developer compound therefor LRBA, THEM6, GOT1 GAA 3509/4885RCE1 3961/4885IKBKB 3597/4885

“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.