SCHEMBL4490123

SCHEMBL4490123

Cc1cc2c(s1)C(=O)c1sc(C)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 7/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL10028797 0.92 PTGS2 (0.39) PTGS2ALDH1A1TSHRMAPTHPGD
SCHEMBL10028800 0.90 PTGS2 (0.40) PTGS2ALDH1A1TSHRMAPTHPGD
SCHEMBL10100082 0.84 PTGS2 (0.40) PTGS2ALDH1A1TSHRMAPTHPGD
SCHEMBL13470065 0.84 PTGS2 (0.40) PTGS2ALDH1A1TSHRMAPTHPGD
SCHEMBL4495481 0.83 KMT2A (0.46) ALDH1A1MAPTHPGDALOX15LMNA
SCHEMBL14294471 0.78 CES1 (0.50) PTGS2ALDH1A1HPGDKMT2AMEN1
SCHEMBL18975440 0.78 PTGS2 (0.38) PTGS2
SCHEMBL12336838 0.78 MAPT (0.32) PTGS2ALDH1A1TSHRMAPTHPGD
SCHEMBL19526462 0.75 PTGS2 (0.31) PTGS2
SCHEMBL15276718 0.75 MAPT (0.33) PTGS2ALDH1A1TSHRMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
EP-1926738-B1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2009-12-09 EP disclosed
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives BASELL POLYOLEFINE GMBH (DE) 2009-05-07 US disclosed
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives BASELL POLYOLEFINE GMBH (DE) 2009-05-07 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
EP-1387827-B1 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2008-09-24 EP disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
WO-2007033937-A1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2007-03-29 WO disclosed
US-20040236115-A1 Synthesis of cyclopentadiene derivatives EQUISTAR CHEMICALS, LP 2004-11-25 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 (3 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-20040236115-A1 Synthesis of cyclopentadiene derivatives CYCS, DHPS, CBR1 PTGS2 396/4885ALDH1A1 1619/4885TSHR 4645/4885
US-20080287692-A1 Synthesis of cyclopentadiene derivatives CYCS, CYC1, CBR1 PTGS2 188/4885ALDH1A1 1577/4885TSHR 1110/4885
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives CCNT1, CBR1, TST PTGS2 323/4885ALDH1A1 476/4885TSHR 1940/4885

“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.