SCHEMBL1648076

SCHEMBL1648076

COC(=O)c1c(C)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NR4A2 P43354 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
TSHR P16473 1/20 0.47
RCE1 Q9Y256 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL30512324 0.85 MEN1 (0.51) NCEH1MEN1KMT2ANR4A2TAS1R3
SCHEMBL998157 0.85 MEN1 (0.47) NCEH1MEN1KMT2ANR4A2ALDH1A1
SCHEMBL27862428 0.84 TAS1R3 (0.46) NCEH1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL14052524 0.83 NCEH1 (0.54) NCEH1MEN1KMT2ANR4A2TAS1R3
SCHEMBL277281 0.83 KMT2A (0.57) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL1638703 0.82 CA12 (0.60) NCEH1MEN1KMT2AALDH1A1MAPT
SCHEMBL71131 0.82 NCEH1 (0.59) NCEH1MEN1KMT2ANR4A2ALDH1A1
SCHEMBL29404644 0.82 NCEH1 (0.59) NCEH1MEN1KMT2ANR4A2ALDH1A1
SCHEMBL230034 0.81 TSHR (0.54) NCEH1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL29626829 0.81 TSHR (0.54) NCEH1MEN1KMT2ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580225-A PRMT5-MTA synergistic inhibitor and application thereof 甘李药业股份有限公司 2024-09-03 CN disclosed
US-11370882-B2 Resin produced by polycondensation, and resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-06-28 US disclosed
US-20220146713-A1 OPTICAL LENS TEIJIN LIMITED (JP) 2022-05-12 US disclosed
US-10689486-B2 Resin produced by polycondensation, and resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-06-23 US disclosed
US-20200190259-A1 RESIN PRODUCED BY POLYCONDENSATION, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-06-18 US disclosed
EP-3483197-A1 RESIN PRODUCED BY POLYCONDENSATION, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-05-15 EP disclosed
EP-3141570-B1 RESIN PRODUCED BY POLYCONDENSATION, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2018-12-05 EP disclosed
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
EP-3141570-A1 RESIN PRODUCED BY POLYCONDENSATION, AND RESIN COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2017-03-15 EP disclosed
US-20170044312-A1 RESIN PRODUCED BY POLYCONDENSATION, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-02-16 US disclosed
US-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-02-25 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
EP-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP NCEH1 5/4885MEN1 2847/4885KMT2A 404/4885
US-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, STS NCEH1 230/4885MEN1 1603/4885KMT2A 666/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS NCEH1 230/4885MEN1 1603/4885KMT2A 666/4885

“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.