SCHEMBL13852796

SCHEMBL13852796

COc1ccc2[nH]c3c(c2c1)CSC/C(=C(\C)O)C3=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MTNR1A P48039 2/20 0.49
▸ MTNR1B P49286 2/20 0.49
▸ CYP1A2 P05177 4/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ CCNB2 O95067 2/20 0.44

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
SCHEMBL13852918 0.78 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL13852787 0.76 KDM4E (0.56) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL13852792 0.75 BAZ2B (0.48) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL13852781 0.71 KDM4E (0.53) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL8058469 0.69 PARP1 (0.66) —
SCHEMBL8794276 0.69 KDM4E (0.68) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL1987936 0.68 MEN1 (0.50) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL6234998 0.67 KDM4E (0.65) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL4142893 0.67 KDM4E (0.69) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL3033917 0.66 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131407-A1 TETRACYCLIC KINASE INHIBITORS GENENTECH, INC. 2009-05-21 — — US disclosed
US-20090131407-A1 TETRACYCLIC KINASE INHIBITORS GENENTECH, INC. 2009-05-21 — — US disclosed
WO-2007120333-A2 TETRACYCLIC KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 — — WO 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-20090131407-A1 TETRACYCLIC KINASE INHIBITORS CNKSR1, MAP3K19, BRAF KDM4E 1144/4885ALDH1A1 3634/4885MAPT 3831/4885

“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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