SCHEMBL12149786

SCHEMBL12149786

CCCN(CC1CC1)c1ccc(C(=O)O)c(OCc2cccc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.50
▸ LTC4S Q16873 5/20 0.47
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ PARP10 Q53GL7 2/20 0.43
▸ PARP15 Q460N3 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CRHR1 P34998 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ EDNRA P25101 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL12149816 0.84 FDPS (0.59) FDPSKEAP1NFE2L2PARP10PARP15
SCHEMBL12149571 0.80 FDPS (0.61) FDPSKEAP1NFE2L2PARP10PARP15
SCHEMBL12149781 0.77 FDPS (0.56) FDPSKEAP1NFE2L2PARP10PARP15
SCHEMBL12149817 0.77 FDPS (0.53) FDPSKEAP1NFE2L2PARP10PARP15
SCHEMBL12149778 0.76 FDPS (0.54) FDPSKEAP1NFE2L2PARP10PARP15
SCHEMBL12149861 0.75 PARP10 (0.67) FDPSKEAP1NFE2L2PARP10PARP15
SCHEMBL12151556 0.75 FDPS (0.60) FDPSPARP10PARP15MEN1KMT2A
SCHEMBL12151673 0.74 FDPS (0.65) FDPSPARP10PARP15MEN1KMT2A
SCHEMBL12151698 0.74 FDPS (0.62) FDPSPARP10PARP15MEN1KMT2A
SCHEMBL12149578 0.74 FDPS (0.64) FDPSKEAP1NFE2L2PARP10PARP15

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 1/4885LTC4S 99/4885KEAP1 1119/4885

“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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