SCHEMBL13708342

SCHEMBL13708342

CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)OC)cc3)C(=O)c3n[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
FLT3 P36888 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CDK2 P24941 1/20 0.39
PPARD Q03181 1/20 0.39
LPAR1 Q92633 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
SCHEMBL2856077 0.92 KDM4E (0.48) KDM4EMAPTHTTTSHRFLT3
SCHEMBL2851540 0.86 KDM4E (0.46) KDM4EMAPTHTTALDH1A1TSHR
SCHEMBL13708350 0.79 ACACB (0.47) TLR7MAPTLPAR1LPAR2
SCHEMBL13708345 0.77 ACACB (0.40) TLR7MAPTPPARDLPAR1LPAR2
SCHEMBL12626727 0.76 PTGES (0.52) TLR7ALDH1A1PPARD
SCHEMBL12626748 0.76 ALDH1A1 (0.45) ALDH1A1PPARD
SCHEMBL13708343 0.75 ACACB (0.44) TLR7ALDH1A1PPARD
SCHEMBL12626710 0.74 ACACB (0.47) ALDH1A1PPARDSMN1; SMN2
SCHEMBL13708347 0.73 ACACB (0.42) TLR7ALDH1A1PPARD
SCHEMBL12626731 0.72 PSMB5 (0.49) KDM4EMAPTALDH1A1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS TLR7 1776/4885KDM4E 1973/4885MAPT 4879/4885

“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.