SCHEMBL6018804

SCHEMBL6018804

C=C(C(=O)c1cc(-c2ccccc2)c(C)s1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.38
PLAU P00749 2/20 0.38
C1S P09871 1/20 0.38
MAPT P10636 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 3/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 2/20 0.36
LMNA P02545 2/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 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
SCHEMBL6019752 0.84 MAPK14 (0.49) PLK1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL5718225 0.81 MAPT (0.38) PLK1PLAUC1SMAPTSMN1; SMN2
SCHEMBL1797326 0.79 KDM4E (0.55) PLK1PLAUC1SMAPTSMN1; SMN2
SCHEMBL1801707 0.78 PLK1 (0.43) PLK1PLAUC1SMAPTSMN1; SMN2
SCHEMBL6454412 0.76 MAPK1 (0.52) PLK1PLAUC1S
SCHEMBL6883034 0.74 PLK1 (0.65) PLK1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL6456041 0.74 SMN1; SMN2 (0.63) PLK1PLAUC1SMAPTSMN1; SMN2
SCHEMBL6018784 0.72 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6018650 0.71 ALDH1A1 (0.38) PLAUMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL6255667 0.70 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1TP53KDM4E

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-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
EP-1412347-A1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC PENTALENE DERIVATIVES Basell Polyolefine GmbH (DE) 2004-04-28 EP disclosed
WO-2003014107-A1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC PENTALENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2003-02-20 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-20040192931-A1 Process for the preparation of heterocyclic pentalene derivatives CBR3, CBR1, ADH5 PLK1 4227/4885PLAU 4159/4885C1S 1615/4885

“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.