SCHEMBL6866010

SCHEMBL6866010

O=C(O)/C(O)=C/C(=O)N(Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
PTPN1 P18031 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL6866013 1.00 L3MBTL1 (0.40) L3MBTL1LTB4RLTB4R2ALDH1A1ALOX5
SCHEMBL6875183 0.86 PDPK1 (0.40) PTPN1KMT2A
SCHEMBL6875181 0.86 PDPK1 (0.40) PTPN1KMT2A
SCHEMBL6872170 0.83 NPC1 (0.40) L3MBTL1TRPM8
SCHEMBL6872168 0.83 NPC1 (0.40) L3MBTL1TRPM8
SCHEMBL6418366 0.82 LMNA (0.50) ALDH1A1PTPN1KMT2ATDP1
SCHEMBL6418362 0.82 LMNA (0.50) ALDH1A1PTPN1KMT2ATDP1
SCHEMBL717758 0.80 ALDH1A1 (0.47) L3MBTL1ALDH1A1ALOX5PTGS1PTGS2
SCHEMBL5320045 0.76 PARP10 (0.44) L3MBTL1ALDH1A1ALOX5PTGS1PTGS2
SCHEMBL6871267 0.74 BCL2A1 (0.36) ALDH1A1KMT2ATDP1

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
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 L3MBTL1 480/4885LTB4R 4553/4885LTB4R2 4684/4885

“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.