SCHEMBL2116608

SCHEMBL2116608

COC(=O)c1ccc2cccc(-c3cccc4c(COC(C)=O)cccc34)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
GAA P10253 1/20 0.37
MTNR1A P48039 2/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
MTNR1B P49286 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
SCHEMBL2115826 0.87 PTGER4 (0.46) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL27801391 0.82 MTNR1A (0.41) KMT2AALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL2116282 0.81 PTGER4 (0.50) PTGER4KMT2AALDH1A1HDAC8GAA
SCHEMBL2116806 0.79 PTGER4 (0.45) PTGER4KMT2AALDH1A1HDAC3HDAC4
SCHEMBL2116288 0.78 PTGER4 (0.44) PTGER4KMT2AALDH1A1HDAC3HDAC4
SCHEMBL9685109 0.74 ALDH1A1 (0.53) KMT2AALDH1A1ATMKDM4EMEN1
SCHEMBL9907327 0.72 PDCD1 (0.45) PTGER4KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL2117639 0.71 MAPT (0.49) KMT2AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL2120585 0.71 KDM4E (0.53) KMT2AFDPSKDM4EMEN1
SCHEMBL487420 0.71 KMT2A (0.55) KMT2AALDH1A1MAPK8MAPK9MAPK10

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 PTGER4 2253/4885KMT2A 3963/4885ALDH1A1 1398/4885

“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.