SCHEMBL13674083

SCHEMBL13674083

CC(C)C[C@@H](CNc1nc(-c2cc(O)ccc2O)nc2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.43
▸ ACP1 P24666 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GBA1 P04062 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL4506771 1.00 EGFR (0.43) EGFRACP1MEN1KMT2AGAA
SCHEMBL4507295 0.91 EGFR (0.44) EGFRACP1MEN1KMT2AGAA
SCHEMBL8222461 0.91 LMNA (0.44) EGFRACP1MEN1KMT2AABCG2
SCHEMBL13674082 0.91 LMNA (0.44) EGFRACP1MEN1KMT2AABCG2
SCHEMBL4509993 0.85 EGFR (0.43) EGFRACP1MEN1KMT2AGAA
SCHEMBL4509909 0.83 EGFR (0.43) EGFRACP1MEN1KMT2AGAA
SCHEMBL4503522 0.79 ACP1 (0.50) EGFRACP1MEN1KMT2AGAA
SCHEMBL4503530 0.79 ACP1 (0.50) EGFRACP1MEN1KMT2AGAA
SCHEMBL4503519 0.79 ACP1 (0.50) EGFRACP1MEN1KMT2AGAA
SCHEMBL4522060 0.77 ACP1 (0.51) EGFRACP1MEN1KMT2AGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT EGFR 50/4885ACP1 282/4885MEN1 4237/4885

“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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