SCHEMBL6794605

SCHEMBL6794605

CCCCCCCCCCCCOc1cc(NC(=N)c2cc(C(=O)O)c3c4ccc5c6c(ccc(c7ccc(C(=O)Nc8cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c8)c2c73)c64)C(=O)NC5=O)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ PLK1 P53350 3/20 0.34
▸ PTPN11 Q06124 6/20 0.33
▸ PTPN1 P18031 4/20 0.33
▸ S1PR3 Q99500 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ PTPN6 P29350 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
SCHEMBL14816401 0.82 MEN1 (0.34) MEN1KMT2APTPN11PTPN1
SCHEMBL10710500 0.82 MEN1 (0.48) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL8672468 0.81 KMT2A (0.37) MEN1KMT2APOLBRXFP1ALDH1A1
SCHEMBL1096403 0.80 MEN1 (0.42) MEN1KMT2APOLBRXFP1KDM4E
SCHEMBL1095842 0.80 ALOX5 (0.39) PLK1POLBKDM4EALDH1A1HPGD
SCHEMBL2524404 0.80 ALOX5 (0.39) PLK1POLBKDM4EALDH1A1HPGD
SCHEMBL10708450 0.80 KMT2A (0.43) MEN1KMT2APOLBRXFP1
SCHEMBL7773647 0.79 MEN1 (0.39) MEN1KMT2APOLBRXFP1KDM4E
SCHEMBL9323129 0.79 MEN1 (0.45) MEN1KMT2APOLBRXFP1
SCHEMBL11053579 0.78 RXFP1 (0.43) MEN1KMT2ARXFP1KDM4E

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 MEN1 3390/4885KMT2A 3149/4885PLK1 3850/4885

“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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