SCHEMBL9893246

SCHEMBL9893246

COc1ccc(C2c3ccccc3C(O)N2CCC(=O)O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HIF1A Q16665 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
FPR1 P21462 1/20 0.41
PDE1C Q14123 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.40
ABCB1 P08183 1/20 0.40
KCNH2 Q12809 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3029407 0.69 MAPT (0.50) MEN1KMT2AKDM4EALOX15FPR1
SCHEMBL3029406 0.69 MAPT (0.50) MEN1KMT2AKDM4EALOX15FPR1
SCHEMBL27913153 0.66 FABP4 (0.49) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL2688181 0.65 KDM4E (0.47) KDM4ELMNAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL27653598 0.64 FABP4 (0.49) KMT2AMAPTSMN1; SMN2
SCHEMBL27653444 0.64 FABP4 (0.49) KMT2AMAPTSMN1; SMN2
Fumaric Acid SCHEMBL5685576 0.64 MEN1 (0.43) MEN1KMT2APDE4APDE4BPDE4C
Fumaric Acid SCHEMBL7358877 0.64 MEN1 (0.43) MEN1KMT2APDE4APDE4BPDE4C
Fumaric Acid SCHEMBL7358872 0.64 MEN1 (0.43) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL347209 0.63 FFAR4 (0.61) MEN1KMT2AKDM4EALDH1A1

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-20120149716-A1 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR TREATMENT, PREVENTION AND MANAGEMENT OF TUBERCULOSIS CELGENE CORPORATION 2012-06-14 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-20120149716-A1 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR TREATMENT, PREVENTION AND MANAGEMENT OF TUBERCULOSIS PDE4A, PDE4B, PDE4C MEN1 3658/4885KMT2A 3497/4885HIF1A 3140/4885

“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.