SCHEMBL2495573

SCHEMBL2495573

CCCCCCCCCCCCCCC#CC(=O)O.CCCCCCCCCCCCCCCC#CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.61
HMGCR P04035 5/20 0.61
TDP1 Q9NUW8 3/20 0.55
RECQL P46063 2/20 0.55
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EPHX2 P34913 3/20 0.47
MMP2 P08253 1/20 0.45
MMP12 P39900 1/20 0.45
TBXAS1 P24557 1/20 0.45

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
SCHEMBL1627298 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1
SCHEMBL23116298 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1
SCHEMBL23116305 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1
SCHEMBL3278140 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1
SCHEMBL23116307 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1
SCHEMBL23116353 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1
SCHEMBL23116366 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1
SCHEMBL23116295 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1
SCHEMBL23116350 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1
SCHEMBL2490802 1.00 PTPN7 (0.61) PTPN7HMGCRTDP1RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1547998-B1 NOVEL COMPOSITION CONTAINING ACYL GROUP ASAHI KASEI CHEMICALS CORP (JP) 2011-10-26 EP disclosed
US-20090093388-A1 NOVEL ACYL GROUP-CONTAINING COMPOSITION ASAHI KASEI CHEMICALS CORPORATION 2009-04-09 US disclosed
US-7488841-B2 Composition containing acyl group ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-02-10 US disclosed
US-20050265951-A1 Novel composition containing acyl group ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-12-01 US disclosed
EP-1547998-A1 NOVEL COMPOSITION CONTAINING ACYL GROUP Asahi Kasei Chemicals Corporation (JP) 2005-06-29 EP 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-20090093388-A1 NOVEL ACYL GROUP-CONTAINING COMPOSITION AADAC, ACADM, NAAA PTPN7 3346/4885HMGCR 2267/4885TDP1 4844/4885
US-20050265951-A1 Novel composition containing acyl group AADAC, ACADM, ADCK5 PTPN7 3222/4885HMGCR 2605/4885TDP1 4847/4885

“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.