SCHEMBL9953449

SCHEMBL9953449

COC(=O)C(=O)c1c(C)[nH]c2ccc(C(C)=O)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
THRB P10828 1/20 0.46
NR4A2 P43354 1/20 0.44
HCRTR1 O43613 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.42
BRD4 O60885 1/20 0.40
PTPN5 P54829 1/20 0.40

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
SCHEMBL9959282 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14555878 0.82 NR4A2 (0.46) KIF11ALDH1A1KDM4ENR4A2KMT2A
Hydrochloric Acid SCHEMBL14487428 0.81 NR4A2 (0.44) KIF11ALDH1A1KDM4ENR4A2KMT2A
SCHEMBL4561758 0.78 NR4A2 (0.71) ALDH1A1NR4A2HSD17B10KMT2ARAB9A
SCHEMBL5960274 0.77 GABRA1 (0.52) KIF11ALDH1A1KDM4EHPGDTHRB
SCHEMBL19211784 0.76 KIF11 (0.56) KIF11ALDH1A1KDM4EHPGDTHRB
SCHEMBL14211006 0.76 KDM4E (0.75) KIF11ALDH1A1KDM4EHPGDTHRB
SCHEMBL3931733 0.75 KDM4E (0.69) KIF11ALDH1A1KDM4EHPGDTHRB
SCHEMBL29587497 0.73 NR4A2 (0.46) NR4A2RAB9AMAPTNPC1
SCHEMBL30619664 0.73 NR4A2 (0.46) NR4A2RAB9AMAPTNPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
CN-103502237-A FAAH inhibitors IRONWOOD PHARMACEUTICALS INC 2014-01-08 CN disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 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-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 KIF11 4645/4885ALDH1A1 314/4885KDM4E 2260/4885

“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.