SCHEMBL4456870

SCHEMBL4456870

CCCCCCN(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)Cc1ccc2c(c1)C(=O)OC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
PTPRO Q16827 1/20 0.42
ACAT1 P24752 1/20 0.39
KCNH2 Q12809 4/20 0.36
BCHE P06276 3/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1811008 0.87 PTPN11 (0.42) PTPN11PTPROACAT1
SCHEMBL1815761 0.87 PTPN11 (0.56) PTPN11PTPROACAT1CA12CA1
SCHEMBL2853646 0.85 PTPN11 (0.39) PTPN11PTPROACAT1CA12CA1
SCHEMBL1814176 0.84 PTPN11 (0.43) PTPN11PTPROACAT1
SCHEMBL1814184 0.83 PTPN11 (0.52) PTPN11PTPROACAT1CA12CA1
SCHEMBL13708340 0.82 LTB4R2 (0.38) PTPN11PTPROACAT1CA12CA1
SCHEMBL1811444 0.81 PTPN11 (0.52) PTPN11PTPROBCHECA12CA1
SCHEMBL1811360 0.81 PTPN11 (0.56) PTPN11PTPROACAT1CA12CA1
SCHEMBL2855304 0.81 POLB (0.38) PTPN11PTPROTDP1L3MBTL1
SCHEMBL1814897 0.80 CNR2 (0.40) ACAT1THRB

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 2 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-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 PTPN11 97/4885PTPRO 51/4885ACAT1 130/4885

“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.