SCHEMBL6879189

SCHEMBL6879189

CON(Cc1ccccc1)C(=O)C=C1OC(C)(C)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL6450808 0.91 TAS2R14 (0.37) ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL6077334 0.90 POLB (0.34) ALDH1A1MAPTTRPM8L3MBTL1
SCHEMBL6879078 0.90 POLB (0.34) ALDH1A1MAPTTRPM8L3MBTL1
SCHEMBL6077512 0.89 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL6078978 0.89 BCL2A1 (0.37) ALDH1A1MAPTRAB9A
SCHEMBL6078972 0.89 BCL2A1 (0.37) ALDH1A1MAPTRAB9A
SCHEMBL6077491 0.89 ALDH1A1 (0.44) NPSR1ALDH1A1MAPTTRPM8L3MBTL1
SCHEMBL6877621 0.89 ALDH1A1 (0.44) NPSR1ALDH1A1MAPTTRPM8L3MBTL1
SCHEMBL6077514 0.89 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL6871159 0.88 NPSR1 (0.35) NPSR1ALDH1A1CYP1A2CYP2C9CYP2C19

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 NPSR1 4477/4885ALDH1A1 976/4885CYP1A2 1000/4885

“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.