SCHEMBL14616158

SCHEMBL14616158

COc1cccc(-c2ccc(-c3cc(C(=O)O)ccn3)c(F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.53
STIM1 Q13586 3/20 0.51
ORAI1 Q96D31 3/20 0.51
CYP2C8 P10632 1/20 0.50
KDM4C Q9H3R0 5/20 0.49
KDM5A P29375 2/20 0.49
KDM5B Q9UGL1 2/20 0.49
KDM6B O15054 2/20 0.49
KDM2A Q9Y2K7 2/20 0.49
KDM3A Q9Y4C1 2/20 0.49
KDM4D Q6B0I6 1/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
KDM2B Q8NHM5 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KDM5C P41229 1/20 0.46
MRGPRX4 Q96LA9 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
SCHEMBL3721276 0.85 KDM4C (0.54) DHODHKDM4CKDM5AKDM5BKDM6B
SCHEMBL21311114 0.84 STIM1 (0.57) STIM1ORAI1CYP2C8KDM4CKDM5A
SCHEMBL29482126 0.84 STIM1 (0.57) STIM1ORAI1CYP2C8KDM4CKDM5A
SCHEMBL30765461 0.79 AKR1C3 (0.64) DHODHCYP2C8AKR1C3AKR1C2KDM4E
SCHEMBL4254012 0.77 STIM1 (0.62) STIM1ORAI1KDM4EMRGPRX4
SCHEMBL28441960 0.75 KDM4C (0.67) KDM4CKDM5AKDM5BKDM6BKDM2A
SCHEMBL29723246 0.75 KDM4C (0.67) KDM4CKDM5AKDM5BKDM6BKDM2A
SCHEMBL12132851 0.74 KDM4C (0.69) KDM4CKDM5AKDM5BKDM6BKDM2A
SCHEMBL3713968 0.74 HDAC6 (0.56)
SCHEMBL4498726 0.73 KDM4C (0.64) KDM4CKDM5AKDM5BKDM6BKDM2A

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-20070027193-A1 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-02-01 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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 DHODH 1/4885STIM1 1887/4885ORAI1 4553/4885

“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.