SCHEMBL822632

SCHEMBL822632

CC(C)(c1ccccc1)c1ccc(N(c2ccc(N(c3ccc(N)cc3)c3ccc(N)cc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
CYP3A4 P08684 5/20 0.63
TDP1 Q9NUW8 4/20 0.63
MAPT P10636 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
NR3C2 P08235 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 3/20 0.41
TSHR P16473 2/20 0.41
PSMD14 O00487 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL822627 1.00 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL5424442 0.90 ESR1 (0.58) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL1591676 0.88 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL4580674 0.88 ESR1 (0.60) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL12153728 0.86 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL13049481 0.86 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL17988507 0.86 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL12128820 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL12337352 0.85 ALDH1A1 (0.69) ALDH1A1CYP3A4TDP1MAPTL3MBTL1
SCHEMBL13700827 0.84 ESR1 (0.52) ALDH1A1CYP3A4TDP1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492508-B2 Nitro compound, amine compound, polyimide and polyimide copolymer derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2013-07-23 US disclosed
US-8492508-B2 Nitro compound, amine compound, polyimide and polyimide copolymer derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2013-07-23 US disclosed
US-8367797-B2 Nitro compound, amine compound and polyamide derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2013-02-05 US disclosed
US-8367797-B2 Nitro compound, amine compound and polyamide derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2013-02-05 US disclosed
US-20110275783-A1 Nitro compound, amine compound and polyamide derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2011-11-10 US disclosed
US-20110275783-A1 Nitro compound, amine compound and polyamide derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2011-11-10 US disclosed
US-20110275781-A1 Nitro compound, amine compound, polyimide and polyimide copolymer derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2011-11-10 US disclosed
US-20110275781-A1 Nitro compound, amine compound, polyimide and polyimide copolymer derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2011-11-10 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 (2 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-20110275783-A1 Nitro compound, amine compound and polyamide derived therefrom NOS2, NOS1, NOS3 ALDH1A1 2358/4885CYP3A4 1179/4885TDP1 1336/4885
US-20110275781-A1 Nitro compound, amine compound, polyimide and polyimide copolymer derived therefrom THEM6, NOS2, NOS1 ALDH1A1 2644/4885CYP3A4 1102/4885TDP1 2136/4885

“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.