SCHEMBL818748

SCHEMBL818748

COC(=O)c1ccc(C(=O)OC)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
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 4/20 0.56
ATM Q13315 3/20 0.56
GAA P10253 3/20 0.56
HSD17B10 Q99714 3/20 0.56
GLA P06280 2/20 0.56
MAPT P10636 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
SLC6A3 Q01959 4/20 0.51
SLC6A4 P31645 3/20 0.51
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51

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
SCHEMBL8678283 0.90 KDM4E (0.59) PTGS2EGFRALDH1A1KDM4EHPGD
SCHEMBL28538634 0.87 MAPT (0.66) PTGS2EGFRALDH1A1KDM4EHPGD
SCHEMBL10058712 0.87 EGFR (0.63) PTGS2EGFRALDH1A1KDM4EHPGD
SCHEMBL10458005 0.86 PTGS2 (0.76) PTGS2EGFRMAPTTSHRGABRG2
SCHEMBL30571934 0.85 TDP1 (0.59) PTGS2EGFRALDH1A1KDM4EHPGD
SCHEMBL9423312 0.85 TDP1 (0.59) PTGS2EGFRALDH1A1KDM4EHPGD
SCHEMBL13482804 0.85 EGFR (0.48) PTGS2EGFRALDH1A1KDM4EHPGD
SCHEMBL12121707 0.84 GABRA1 (0.62) EGFRALDH1A1KDM4EHPGDGAA
SCHEMBL26573424 0.84 SLC6A4 (0.65) PTGS2EGFRALDH1A1KDM4EHPGD
SCHEMBL26573338 0.84 KDM4E (0.65) PTGS2ALDH1A1KDM4EHPGDATM

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111318278-A Preparation method of catalyst for preparing cyclohexane-1, 2-dioctyl phthalate 中国石油化工股份有限公司 2020-06-23 CN disclosed
CN-107737592-B Preparation method and application of ordered mesoporous carbon catalyst inlaid with nickel particles 山东玉皇化工有限公司 2020-02-07 CN disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-8367858-B2 Terephthalic and trimellitic based acids and carboxylate derivatives thereof 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-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 US disclosed
WO-2010148080-A2 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148080-A2 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 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 (2 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 PTGS2 2648/4885EGFR 2907/4885ALDH1A1 1121/4885
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 PTGS2 2737/4885EGFR 386/4885ALDH1A1 1292/4885

“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.