SCHEMBL40015

SCHEMBL40015

CC(C)(C)OC(=O)NCCCCC(c1ccco1)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
RCE1 Q9Y256 1/20 0.46
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
DRD2 P14416 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL41857 0.74 ALDH1A1 (0.45) ALDH1A1GAAMEN1GLAKMT2A
SCHEMBL25532698 0.73 MEN1 (0.43) GAAMEN1KMT2ARAB9A
SCHEMBL2683841 0.71 MEN1 (0.57) GAAMEN1KMT2ADRD2
SCHEMBL24831465 0.70 CTSS (0.50) GAAMEN1KMT2ARAB9A
SCHEMBL39912 0.70 CYP3A4 (0.53) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL10377809 0.69 NPC1 (0.46) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL10377815 0.69 NPC1 (0.46) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL6610694 0.69 NPC1 (0.46) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL12437163 0.68 ALDH1A1 (0.46) ALDH1A1GAAMEN1GLAKMT2A
SCHEMBL26057650 0.68 ALDH1A1 (0.54) ALDH1A1TSHRRAB9AL3MBTL1

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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
WO-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR ALDH1A1 2066/4885GAA 2702/4885MEN1 886/4885

“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.