SCHEMBL13852918

SCHEMBL13852918

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 5/20 0.46
▸ MTNR1A P48039 4/20 0.46
▸ MTNR1B P49286 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ CYP1A2 P05177 5/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ BAZ2B Q9UIF8 1/20 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
SCHEMBL13852792 0.80 BAZ2B (0.48) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL13852796 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL8278070 0.69 DRD2 (0.58) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL14398035 0.68 BAZ2B (0.60) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL13852919 0.67 CYP1A2 (0.67) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL8794276 0.66 KDM4E (0.68) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL7850778 0.65 CYP1A2 (0.53) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL8036235 0.65 BAZ2B (0.57) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL12602172 0.65 MDH2 (0.58) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL6234998 0.64 KDM4E (0.65) KDM4EALDH1A1HPGDMTNR1AMTNR1B

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-20090131407-A1 TETRACYCLIC KINASE INHIBITORS GENENTECH, INC. 2009-05-21 — — 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-20090131407-A1 TETRACYCLIC KINASE INHIBITORS CNKSR1, MAP3K19, BRAF KDM4E 1144/4885ALDH1A1 3634/4885HPGD 4252/4885

“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.

Send feedback