SCHEMBL13259587

SCHEMBL13259587

COCCOCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(N1C(=O)c2ccc4c5c(ccc(c25)C1=O)C(=O)N(N1C(=O)c2ccc5c6c(ccc(c26)C1=O)C(=O)N(CCOCCOC)C5=O)C4=O)C3=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ TERT O14746 6/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RGS12 O14924 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MGLL Q99685 1/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ PIN4 Q9Y237 1/20 0.39
▸ TOP2A P11388 2/20 0.39
▸ HEXA P06865 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
SCHEMBL17874629 0.91 ALDH1A1 (0.47) ALDH1A1TERTRAB9AKDM4EMEN1
SCHEMBL12243699 0.89 TERT (0.55) ALDH1A1TERTRAB9AKDM4EMEN1
SCHEMBL12640365 0.89 TERT (0.55) ALDH1A1TERTRAB9AKDM4EMEN1
SCHEMBL14803594 0.85 ALDH1A1 (0.49) ALDH1A1TERTRAB9AKDM4EMEN1
SCHEMBL22361783 0.85 HEXA (0.56) ALDH1A1RAB9AKDM4ESMN1; SMN2HEXA
SCHEMBL12243696 0.85 ALDH1A1 (0.59) ALDH1A1TERTRAB9AKDM4EMEN1
SCHEMBL18771264 0.83 TERT (0.49) ALDH1A1TERTRAB9AKDM4EMEN1
SCHEMBL25396585 0.82 RAB9A (0.58) ALDH1A1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL3091241 0.82 RAB9A (0.58) ALDH1A1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL30536704 0.82 RAB9A (0.58) ALDH1A1RAB9ANPC1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763727-B2 Compound and organic electronic device using the same MITSUI CHEMICALS, INC. (JP) 2010-07-27 — — US disclosed
US-20070219375-A1 Novel Compound and Organic Electronic Device Using the Same MITSUI CHEMICALS, INC. (JP) 2007-09-20 — — 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-20070219375-A1 Novel Compound and Organic Electronic Device Using the Same OR10J3, RPS10, NOX4 ALDH1A1 1416/4885TERT 244/4885RAB9A 1879/4885

“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.

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