SCHEMBL6019765

SCHEMBL6019765

C1=C(c2ccccc2)Cc2sc(-c3ccccc3)c(-c3ccccc3)c21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
GRM6 O15303 1/20 0.33
TP53 P04637 2/20 0.32
MDM2 Q00987 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6018296 0.83 MAPK1 (0.37) PTGS2L3MBTL1
SCHEMBL1827223 0.81 PTGS2 (0.39) PTGS2GRM6TP53MDM2L3MBTL1
SCHEMBL6018662 0.74 PTGS2 (0.40) PTGS2GRM6TP53MDM2L3MBTL1
SCHEMBL1224397 0.68 MAPT (0.56) PTGS2GRM6L3MBTL1
SCHEMBL1824700 0.67 MAPK1 (0.38) GRM6L3MBTL1
SCHEMBL1826346 0.66 GRM6 (0.41) PTGS2GRM6TP53
SCHEMBL6018836 0.64 PTGS2 (0.39) PTGS2GRM6TP53MDM2L3MBTL1
SCHEMBL12811196 0.64 MAPK1 (0.33)
SCHEMBL28304213 0.64 MAPT (0.42) PTGS2GRM6L3MBTL1
SCHEMBL5718140 0.62 MAPK1 (0.35)

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
EP-1412347-B1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC PENTALENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2006-01-11 EP disclosed
US-6930190-B2 Process for the preparation of heterocyclic pentalene derivatives BASELL POLYOLEFINE GMBH (DE) 2005-08-16 US disclosed
US-20040192931-A1 Process for the preparation of heterocyclic pentalene derivatives EQUISTAR CHEMICALS, LP 2004-09-30 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-20040192931-A1 Process for the preparation of heterocyclic pentalene derivatives CBR3, CBR1, ADH5 PTGS2 268/4885GRM6 2066/4885TP53 3892/4885

“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.