SCHEMBL12659470

SCHEMBL12659470

C=CCN1C(=O)C2(CCCC2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ ALDH1A1 P00352 7/20 0.51
▸ POLB P06746 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALPL P05186 1/20 0.48
▸ ALPI P09923 1/20 0.48
▸ ALPG P10696 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ OPRL1 P41146 4/20 0.48
▸ TSHR P16473 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CDYL2 Q8N8U2 1/20 0.46
▸ CDYL Q9Y232 1/20 0.46
▸ CDY1; CDY1B Q9Y6F8 1/20 0.46
▸ USP2 O75604 1/20 0.45

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
SCHEMBL12659466 0.81 POLB (0.46) L3MBTL1ALDH1A1POLBKDM4EGAA
SCHEMBL16812348 0.80 OPRL1 (0.48) L3MBTL1ALDH1A1OPRL1OPRM1OPRK1
SCHEMBL11640983 0.78 OPRL1 (0.53) OPRL1OPRM1OPRK1LMNASLC6A4
SCHEMBL25502419 0.77 GAA (0.58) L3MBTL1ALDH1A1POLBKDM4EGAA
SCHEMBL28393168 0.77 L3MBTL1 (0.58) L3MBTL1ALDH1A1POLBKDM4EGAA
SCHEMBL10565837 0.77 L3MBTL1 (0.58) L3MBTL1ALDH1A1POLBKDM4EGAA
SCHEMBL13078063 0.77 L3MBTL1 (0.43) L3MBTL1ALDH1A1POLBKDM4EGAA
SCHEMBL13234042 0.77 POLB (0.44) L3MBTL1ALDH1A1POLBKDM4EGAA
SCHEMBL23991954 0.77 OPRL1 (0.48) ALDH1A1OPRL1OPRM1OPRK1SLC6A4
SCHEMBL9379367 0.77 OPRL1 (0.48) ALDH1A1POLBKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919920-B1 PENTACYCLIC KINASE INHIBITORS GENENTECH INC (US) 2011-05-18 — — EP disclosed
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 — — US disclosed
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 — — US disclosed
WO-2007022102-A2 PENTACYCLIC KINASE INHIBITORS GENENTECH, INC. (US) 2007-02-22 — — WO disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 — — US disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 — — 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-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals RAF1, CHEK1, BRAF L3MBTL1 693/4885ALDH1A1 2759/4885POLB 2383/4885

“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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