SCHEMBL6787896

SCHEMBL6787896

CCCCCCCCCCCCOc1cc(N2C(=O)c3cc(Oc4ccccc4)c4c5c(Oc6ccccc6)cc6c7c(cc(Oc8ccccc8)c(c8c(Oc9ccccc9)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 12)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.40
▸ MCHR1 Q99705 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ NTRK1 P04629 3/20 0.36
▸ NTRK3 Q16288 3/20 0.36
▸ NTRK2 Q16620 3/20 0.36
▸ PTPN11 Q06124 2/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL13572449 0.92 MAPT (0.36) LTA4HMCHR1PPARGPPARDPPARA
SCHEMBL6792781 0.88 ALDH1A1 (0.34) MCHR1PPARGPPARDPPARAMAPT
SCHEMBL13572446 0.85 MCHR1 (0.35) LTA4HMCHR1PPARGPPARDPPARA
SCHEMBL13572451 0.82 GRM5 (0.38) PPARGPPARDPPARAPTPN11GRM5
SCHEMBL14706340 0.82 MCHR1 (0.32) MCHR1PPARGPPARDPPARAMAPT
SCHEMBL6793004 0.80 ALDH1A1 (0.32) MCHR1PPARGPPARDPPARAMAPT
SCHEMBL14706336 0.79 PPARG (0.36) PPARGPPARDPPARAPTPN11TP53
SCHEMBL24011802 0.77 NR1H2 (0.47) PPARGPPARA
SCHEMBL12869345 0.77 THRB (0.34) PPARGPPARDPPARAGRM5TP53
SCHEMBL18873949 0.77 GRM5 (0.44) NTRK1NTRK3NTRK2GRM5MAPT

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 LTA4H 556/4885MCHR1 858/4885PPARG 2022/4885

“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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