SCHEMBL6792781

SCHEMBL6792781

CCCCCCCCCCCCOc1cc(N2C(=O)c3cc(Oc4ccc(C(C)(C)C)cc4)c4c5c(Oc6ccc(C(C)(C)C)cc6)cc6c7c(cc(Oc8ccc(C(C)(C)C)cc8)c(c8c(Oc9ccc(C(C)(C)C)cc9)cc(c3c48)C2=O)c75)C(=O)N(c2cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)C6=O)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CXCR5 P32302 1/20 0.34
▸ NR1I2 O75469 5/20 0.33
▸ PLA2G1B P04054 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ ESR1 P03372 2/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31

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
SCHEMBL6793004 0.92 ALDH1A1 (0.32) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL6787896 0.88 LTA4H (0.40) MAPTPPARGPPARDPPARAMCHR1
SCHEMBL13572449 0.85 MAPT (0.36) ALDH1A1MAPTPPARGPPARDPPARA
SCHEMBL14706340 0.80 MCHR1 (0.32) ALDH1A1MAPTPPARGPPARDPPARA
SCHEMBL15685974 0.79 ALDH1A1 (0.40) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL7249599 0.79 ALDH1A1 (0.40) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL7246100 0.79 ALDH1A1 (0.40) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL7247576 0.79 ALDH1A1 (0.40) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL13572446 0.78 MCHR1 (0.35) ALDH1A1MAPTPPARGPPARDPPARA
SCHEMBL3682788 0.77 ALDH1A1 (0.42) ALDH1A1MAPTTDP1USP2HPGD

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-6806368-B2 FOR ELECTRONIC, OPTOELECTRONIC AND PHOTONIC APPLICATIONS, FOR COLORATION OF MACROMOLECULAR ORGANIC AND OF INORGANIC MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2004-10-19 — — US disclosed
US-20030181721-A1 Liquid crystalline 3,4:9,10-perylenetetacarbocylic acid diimides BASF AKTIENGESELLSCHAFT (DE) 2003-09-25 — — 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-20030181721-A1 Liquid crystalline 3,4:9,10-perylenetetacarbocylic acid diimides CCR9, CLTA, HAO2 ALDH1A1 1393/4885MAPT 2542/4885TDP1 3774/4885

“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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