SCHEMBL4049432

SCHEMBL4049432

O=C(O)Cc1ccccc1-c1cc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IKBKB O14920 2/20 0.46
APP P05067 2/20 0.44
STK17B O94768 2/20 0.43
STK17A Q9UEE5 2/20 0.43
CAMKK1 Q8N5S9 1/20 0.43
AURKB Q96GD4 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
AKR1B1 P15121 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
SCHEMBL14873478 0.89 AKR1B1 (0.44) TDP1IKBKBAKR1B1KDM4EMEN1
SCHEMBL27149766 0.87 AKR1B1 (0.48) TDP1AKR1B1KDM4ES1PR4S1PR5
SCHEMBL477484 0.81 CYP2A6 (0.53) BCL2L1IKBKBAPPCA1CA2
SCHEMBL30726783 0.79 GPR35 (0.44) TDP1AKR1B1HDAC3HDAC4HDAC1
SCHEMBL18049807 0.79 GPR35 (0.44) TDP1AKR1B1HDAC3HDAC4HDAC1
SCHEMBL14645521 0.78 STK17B (0.44) BCL2L1TDP1IKBKBAPPSTK17B
SCHEMBL14870786 0.78 PTGER1 (0.38) TDP1IKBKBAKR1B1TNFRSF1AS1PR4
SCHEMBL4909643 0.78 APP (0.45) BCL2L1APPCA1CA2CA9
SCHEMBL17799582 0.76 CA12 (0.58) BCL2L1IKBKBAPPCA12CA1
SCHEMBL19133572 0.76 APP (0.57) BCL2L1APPCA1CA2CA9

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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 BCL2L1 3053/4885TDP1 1492/4885IKBKB 440/4885

“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.