SCHEMBL6289998

SCHEMBL6289998

Cc1c(N)cccc1Oc1ccccc1Oc1ccccc1Oc1cccc(N)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
TSHR P16473 1/20 0.56
PIK3CA P42336 1/20 0.56
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 3/20 0.48
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KEAP1 Q14145 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CD44 P16070 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL8174091 0.95 CYP3A4 (0.62) CYP3A4TSHRPIK3CAALDH1A1GAA
SCHEMBL13394018 0.93 CYP3A4 (0.59) CYP3A4TSHRPIK3CAALDH1A1GAA
SCHEMBL31179965 0.86 ALDH1A1 (0.58) CYP3A4TSHRPIK3CAALDH1A1GAA
SCHEMBL31179963 0.82 KDM4E (0.57) CYP3A4TSHRPIK3CAALDH1A1GAA
SCHEMBL10363801 0.81 CYP3A4 (0.45) CYP3A4TSHRPIK3CAALDH1A1GAA
SCHEMBL8172718 0.80 CYP3A4 (0.41) CYP3A4TSHRPIK3CAALDH1A1GAA
SCHEMBL22830371 0.79 ALDH1A1 (0.50) CYP3A4TSHRPIK3CAALDH1A1GAA
SCHEMBL16752103 0.79 CYP3A4 (0.43) CYP3A4TSHRPIK3CAALDH1A1GAA
Hydrochloric Acid SCHEMBL10363807 0.79 ALDH1A1 (0.45) CYP3A4TSHRPIK3CAALDH1A1GAA
SCHEMBL265737 0.79 ALDH1A1 (0.62) CYP3A4TSHRPIK3CAALDH1A1GAA

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 CYP3A4 857/4885TSHR 3434/4885PIK3CA 2365/4885

“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.