SCHEMBL12149601

SCHEMBL12149601

COc1cccc(-c2ccc(C(=O)O)c(OCc3cccc4ccccc34)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.68
▸ PARP10 Q53GL7 2/20 0.57
▸ PARP15 Q460N3 1/20 0.57
▸ PTGER4 P35408 1/20 0.53
▸ VDR P11473 1/20 0.52
▸ MCL1 Q07820 3/20 0.51
▸ BAD Q92934 1/20 0.51
▸ KEAP1 Q14145 1/20 0.48
▸ NFE2L2 Q16236 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ PLG P00747 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL12149695 0.94 FDPS (0.68) FDPSPARP10PARP15PTGER4MCL1
SCHEMBL12149861 0.91 PARP10 (0.67) FDPSPARP10PARP15MCL1KEAP1
SCHEMBL1378315 0.90 FDPS (0.78) FDPSPARP10PARP15PTGER4MCL1
SCHEMBL12149587 0.89 FDPS (0.70) FDPSPARP10PARP15PTGER4MCL1
SCHEMBL12149693 0.87 FDPS (0.70) FDPSPARP10PARP15MCL1BAD
SCHEMBL12149684 0.86 FDPS (0.70) FDPSPARP10PARP15PTGER4MCL1
SCHEMBL12151721 0.86 FDPS (0.62) FDPSPARP10PARP15PTGER4MCL1
SCHEMBL1377048 0.86 FDPS (0.66) FDPSPARP10PARP15PTGER4MCL1
SCHEMBL12149856 0.85 PARP10 (0.60) FDPSPARP10PARP15MCL1KEAP1
SCHEMBL12149699 0.85 FDPS (0.74) FDPSPARP10PARP15PTGER4MCL1

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-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2011-11-24 — — US disclosed
US-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2011-11-24 — — US disclosed
WO-2010043584-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2010-04-22 — — 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-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS FDPS, GGPS1, COASY FDPS 1/4885PARP10 1018/4885PARP15 521/4885

“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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