SCHEMBL3326684

SCHEMBL3326684

COc1ccc(OC(C)=O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 4/20 0.50
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50
TUBB2B Q9BVA1 2/20 0.50
TUBB1 Q9H4B7 2/20 0.50
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49

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
SCHEMBL29535063 0.89 KDM4E (0.58) ACHELMNAKDM4EKMT2AALDH1A1
SCHEMBL2541390 0.89 KDM4E (0.58) ACHELMNAKDM4EKMT2AALDH1A1
SCHEMBL12799803 0.88 BACE1 (0.49) LMNAKDM4ETUBB4ATUBBTUBA3C
SCHEMBL14700586 0.88 KMT2A (0.49) ACHELMNAKDM4ETUBB4ATUBB
SCHEMBL11577550 0.87 ACHE (0.54) ACHELMNAKDM4EKMT2AALDH1A1
SCHEMBL12305403 0.86 MEN1 (0.54) ACHELMNATUBB4ATUBBTUBA3C
SCHEMBL26009120 0.85 ACHE (0.57) ACHELMNAKDM4ETUBB4ATUBB
SCHEMBL153056 0.85 CA12 (0.59) LMNAKDM4ETUBB4ATUBBTUBA3C
SCHEMBL9505642 0.84 LMNA (0.55) ACHELMNAKDM4EKMT2AALDH1A1
SCHEMBL13470760 0.84 ALDH1A1 (0.48) KDM4ETUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 EP disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 EP disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 WO disclosed
US-7388111-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-06-17 US disclosed
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 US disclosed
US-5230975-A Photoconductive imaging members with unsymmetrical alkylalkoxy squaraine compositions XEROX CORPORATION (US) 1993-07-27 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 (2 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-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, RTF1 ACHE 1640/4885LMNA 3776/4885KDM4E 685/4885
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 ACHE 4746/4885LMNA 3768/4885KDM4E 2110/4885

“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.