SCHEMBL13596297

SCHEMBL13596297

CC(C)Nc1ccc(COC(=O)N(C)CCN(C)C(=O)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.39
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 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
SCHEMBL22067691 0.88 F13A1 (0.40) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL3071986 0.87 F13A1 (0.43) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL22546602 0.86 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL11990731 0.86 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL21132846 0.85 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL21706330 0.85 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13029063 0.85 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13130772 0.85 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760586 0.84 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL25751042 0.84 MEN1 (0.45) F13A1TGM2TGM1PRSS1TPSAB1

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-8940784-B2 Water-soluble CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2015-01-27 — — US disclosed
US-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates Georg-August-Universität Göttingen Stiftung öffentlichen Rechts (ohne Bereich Humanmedizin) (DE) 2009-12-24 — — 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-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates PCNA, DCK, BAD F13A1 2313/4885TGM2 3594/4885TGM1 3500/4885

“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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