SCHEMBL3580743

SCHEMBL3580743

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3c4cccc5c(Br)ccc(c6c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc(c2c36)C1=O)c54

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.35
▸ DPP4 P27487 3/20 0.35
▸ MCL1 Q07820 2/20 0.34
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.30

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
SCHEMBL12055789 0.93 ANPEP (0.38) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL2702644 0.92 ANPEP (0.36) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL12055790 0.92 ANPEP (0.38) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL38651290 0.92 ANPEP (0.38) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL18071911 0.91 ANPEP (0.36) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL20784011 0.91 ANPEP (0.40) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL7746465 0.91 ANPEP (0.38) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL2607310 0.90 ANPEP (0.41) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL4581765 0.89 MCL1 (0.35) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL26420378 0.86 ANPEP (0.39) ANPEPDPP4MCL1NR1H2NR1H3

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-7858636-B2 Use as coloring in coatings, printing inks and plastics, for producing aqueous polymer dispersions which absorb in the near infrared region, for producing markings which absorb infrared light and are invisible to the human eye, as infrared absorbers for heat management, active components in photovoltaics BASF AKTIENGESELLSCHAFT (DE) 2010-12-28 — — US disclosed
US-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides BASF A.KTIENGESELLSCHAFT (DE) 2008-08-07 — — 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-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides CRYAA, UACA, CYP3A43 ANPEP 2267/4885DPP4 2641/4885MCL1 4568/4885

“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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