SCHEMBL5142033

SCHEMBL5142033

C#CCCC#CCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.45
HMGCR P04035 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
EPHX2 P34913 2/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL6045296 0.92 TSHR (0.39) PTPN7HMGCRSMN1; SMN2RECQLTDP1
SCHEMBL11861603 0.90 TSHR (0.38) PTPN7HMGCRSMN1; SMN2RECQLTDP1
SCHEMBL28334123 0.90 PTPN7 (0.50) PTPN7HMGCRSMN1; SMN2RECQLTDP1
SCHEMBL5144651 0.86 PTPN7 (0.54) PTPN7HMGCRSMN1; SMN2RECQLTDP1
SCHEMBL11071831 0.83 PTPN7 (0.58) PTPN7HMGCRSMN1; SMN2RECQLTDP1
SCHEMBL55290 0.83
SCHEMBL1760799 0.83 PTPN7 (0.56) PTPN7HMGCRSMN1; SMN2RECQLTDP1
SCHEMBL6045142 0.82 PTPN7 (0.50) PTPN7HMGCRSMN1; SMN2RECQLTDP1
SCHEMBL1470503 0.80 TSHR (0.50) PTPN7HMGCRSMN1; SMN2MEN1MAPT
Water SCHEMBL11880392 0.80

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-7332623-B2 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-02-19 US disclosed
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY 2005-01-06 US disclosed
US-20050004211-A1 Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY 2005-01-06 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 (2 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-20050004211-A1 Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds CCNI, TOP1, TOP2B PTPN7 1284/4885HMGCR 1395/4885SMN1; SMN2 2629/4885
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds CCNI, TOP2B, TOP2A PTPN7 2541/4885HMGCR 2769/4885SMN1; SMN2 2659/4885

“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.