SCHEMBL8183283

SCHEMBL8183283

CCc1c(C)oc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.54
NR1I3 Q14994 1/20 0.46
ABCB1 P08183 2/20 0.45
PLK1 P53350 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CYP2C19 P33261 3/20 0.41
EYA3 Q99504 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
PGAM1 P18669 1/20 0.40
MAOA P21397 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL31217589 0.85 KDM4E (0.53) CA2KDM4EMAPTALDH1A1GLA
SCHEMBL18407415 0.85 KDM4E (0.53) CA2KDM4EMAPTALDH1A1GLA
SCHEMBL24958682 0.84 CA2 (0.51) CA2NR1I3ABCB1PLK1THRA
SCHEMBL17974165 0.82 CA2 (0.53) CA2NR1I3PLK1THRATHRB
SCHEMBL15241836 0.82 CA2 (0.53) CA2NR1I3PLK1THRATHRB
SCHEMBL24770627 0.82 CA2 (0.57) CA2NR1I3PLK1THRATHRB
SCHEMBL4743772 0.82 CA2 (0.53) CA2NR1I3PLK1THRATHRB
SCHEMBL5860509 0.79 EYA3 (0.49) ABCB1PLK1THRBCYP2C19EYA3
SCHEMBL1253476 0.79 CA2 (0.62) CA2NR1I3ABCB1PLK1THRA
SCHEMBL20562108 0.79 CA2 (0.54) CA2NR1I3PLK1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
US-20230011568-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-12 US disclosed
WO-2022268890-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2022-12-29 WO disclosed
CN-113825409-A Whiskey imitation made from individual components 艾娃食品实验室有限公司 2021-12-21 CN disclosed
US-20210380618-A1 ORGANIC LIGHT EMITTING MATERIAL Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-12-09 US disclosed
US-20190169195-A1 BET PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2019-06-06 US disclosed
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP disclosed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
WO-2008084236-A1 CHEMICAL COMPOUNDS 635 : PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 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 (9 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-20100093705-A1 Therapeutic agents, and methods of making and using the same MCL1, DHFR, ANXA5 CA2 1146/4885NR1I3 4651/4885ABCB1 446/4885
US-20230011568-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE L1CAM, AP1M1, AP2M1 CA2 3423/4885NR1I3 1349/4885ABCB1 4129/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 CA2 1811/4885NR1I3 2336/4885ABCB1 2329/4885
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC CA2 3128/4885NR1I3 645/4885ABCB1 74/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC CA2 3128/4885NR1I3 645/4885ABCB1 74/4885
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC CA2 4674/4885NR1I3 2836/4885ABCB1 166/4885
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 CA2 1146/4885NR1I3 4651/4885ABCB1 446/4885
US-20210380618-A1 ORGANIC LIGHT EMITTING MATERIAL LEF1, CRY1, CYBA CA2 3813/4885NR1I3 474/4885ABCB1 2081/4885
US-20190169195-A1 BET PROTEIN DEGRADERS BRD4, BET1, BRD1 CA2 3421/4885NR1I3 1247/4885ABCB1 1204/4885

“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.