SCHEMBL6289845

SCHEMBL6289845

CCCCc1cc(Oc2ccc(Oc3ccc(Oc4ccccc4N)cc3)c(CCCC)c2)ccc1Oc1ccc(Oc2ccccc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
GAA P10253 2/20 0.49
RCE1 Q9Y256 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TLR4 O00206 1/20 0.41
LTA4H P09960 3/20 0.41
IKBKB O14920 1/20 0.40
BRAF P15056 1/20 0.40
MAPT P10636 1/20 0.39
HRH1 P35367 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6289872 0.83 HTR2A (0.44) LTA4H
SCHEMBL6289398 0.83 GAA (0.48) CYP1A2CYP2C9CYP2C19GAARCE1
SCHEMBL31457339 0.78 NCOA1 (0.43) CYP1A2CYP2C9CYP2C19IKBKBBRAF
SCHEMBL31457275 0.78 HTR2A (0.47) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL5382666 0.77 NR4A1 (0.47) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL11735879 0.77 LTA4H (0.45) GAAALDH1A1LTA4HHRH1
SCHEMBL13858636 0.76 GAA (0.57) CYP1A2CYP2C9CYP2C19GAARCE1
SCHEMBL31457286 0.76 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19GAAALDH1A1
SCHEMBL9138002 0.75 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19GAARCE1
SCHEMBL31457326 0.75 ALDH1A1 (0.46) GAAALDH1A1LTA4HMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933411-B2 Aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2005-08-23 US disclosed
US-6737503-B2 LOW TEMPERATURE ADHESIVE BONDING MITSUI CHEMICALS, INC. (JP) 2004-05-18 US disclosed
US-20040082754-A1 Novel aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2004-04-29 US disclosed
US-20030092870-A1 Novel aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1288191-A2 Novel aromatic diamine and polyimide thereof Mitsui Chemicals, Inc. (JP) 2003-03-05 EP 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-20030092870-A1 Novel aromatic diamine and polyimide thereof DDT, AOC1, H1-4 CYP1A2 2473/4885CYP2C9 1230/4885CYP2C19 1243/4885

“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.