SCHEMBL821283

SCHEMBL821283

COC(=O)c1ccc(C)c(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.59
EGFR P00533 1/20 0.59
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SLC2A1 P11166 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NOTUM Q6P988 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL2342676 0.89 PTGS2 (0.51) PTGS2EGFRALDH1A1L3MBTL1SLC2A1
SCHEMBL3748237 0.87 EGFR (0.63) PTGS2EGFRTSHRALDH1A1L3MBTL1
SCHEMBL10458005 0.86 PTGS2 (0.76) PTGS2EGFRTSHRL3MBTL1SLC2A1
SCHEMBL5032072 0.86 PDGFRB (0.63) PTGS2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5098764 0.85 EGFR (0.54) PTGS2EGFRTSHRALDH1A1L3MBTL1
SCHEMBL18152307 0.84 PTGS1 (0.56) PTGS2EGFRALDH1A1SLC2A1MEN1
SCHEMBL4765793 0.84 MAPT (0.49) PTGS2EGFRALDH1A1L3MBTL1SLC2A1
SCHEMBL818748 0.83 PTGS2 (0.59) PTGS2EGFRTSHRALDH1A1MEN1
SCHEMBL14832104 0.83 EGFR (0.68) PTGS2EGFRTSHRALDH1A1L3MBTL1
SCHEMBL22292439 0.83 KDM4E (0.54) PTGS2TSHRALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 US disclosed
US-8367858-B2 Terephthalic and trimellitic based acids and carboxylate derivatives thereof Amyris, Inc. (US) 2013-02-05 US disclosed
US-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110288263-A1 BIOBASED POLYESTERS DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES DRATHS CORPORATION (US) 2011-11-17 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-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES CNR2, CBR1, CCR4 PTGS2 1245/4885EGFR 3058/4885TSHR 4873/4885
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES CBR1, MCM4, CCR4 PTGS2 885/4885EGFR 3410/4885TSHR 4840/4885
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM PTGS2 2360/4885EGFR 1735/4885TSHR 4009/4885

“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.