SCHEMBL14003753

SCHEMBL14003753

CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Oc6ccc(Oc7cc8c9c(cc(Oc%10ccc(Oc%11ccc%12c%13ccc%14c%15c(ccc(c%16cccc%11c%16%12)c%15%13)C(=O)N(c%11c(C(C)C)cccc%11C(C)C)C%14=O)cc%10)c%10c%11ccc%12c%13c(Oc%14ccc(Oc%15ccc%16c%17ccc%18c%19c(ccc(c%20cccc%15c%20%16)c%19%17)C(=O)N(c%15c(C(C)C)cccc%15C(C)C)C%18=O)cc%14)cc%14c%15c(cc(Oc%16ccc(Oc%17ccc%18c%19ccc%20c%21c(ccc(c%22cccc%17c%22%18)c%21%19)C(=O)N(c%17c(C(C)C)cccc%17C(C)C)C%20=O)cc%16)c(c%16ccc(c7c9%10)c%11c%16%12)c%15%13)C(=O)N(c7c(C(C)C)cccc7C(C)C)C%14=O)C(=O)N(c7c(C(C)C)cccc7C(C)C)C8=O)cc6)ccc(c6ccc(c2c36)C1=O)c54

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 4/20 0.44
▸ DPP4 P27487 4/20 0.44
▸ MCL1 Q07820 9/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ BCL2 P10415 6/20 0.36
▸ BCL2L1 Q07817 4/20 0.36
▸ PRMT1 Q99873 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33

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
SCHEMBL14003713 0.97 ANPEP (0.43) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL14003717 0.94 ANPEP (0.44) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL14003729 0.92 ANPEP (0.46) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL14003739 0.91 ANPEP (0.45) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL5369836 0.89 ANPEP (0.39) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL24012109 0.88 ANPEP (0.45) ANPEPDPP4NR1H2NR1H3LMNA
SCHEMBL5014325 0.88 ANPEP (0.45) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL32670569 0.88 ANPEP (0.46) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL14003741 0.88 ANPEP (0.54) ANPEPDPP4MCL1NR1H2NR1H3
SCHEMBL14003766 0.88 ANPEP (0.40) ANPEPDPP4NR1H2NR1H3PRMT1

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-8501948-B2 Multiple chromophores based on rylene BASF AKTIENGESELLSCHAFT (DE) 2013-08-06 — — US disclosed
US-8501948-B2 Multiple chromophores based on rylene BASF AKTIENGESELLSCHAFT (DE) 2013-08-06 — — US disclosed
US-20080287678-A1 Multiple Chromophores Based on Rylene BASF AKTIENGESELLSCHAFT (DE) 2008-11-20 — — US disclosed
US-20080287678-A1 Multiple Chromophores Based on Rylene BASF AKTIENGESELLSCHAFT (DE) 2008-11-20 — — US disclosed
WO-2007014902-A2 MULTIPLE CHROMOPHORES BASED ON RYLENE BASF SE (DE) 2007-02-08 — — WO 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-20080287678-A1 Multiple Chromophores Based on Rylene TDO2, PPOX, NPY1R ANPEP 2170/4885DPP4 3749/4885MCL1 4193/4885

“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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