SCHEMBL7735376

SCHEMBL7735376

COC(=O)C(C)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
TSHR P16473 1/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESRRB O95718 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL16453798 1.00 KMT2A (0.53) KMT2ATSHRPTGS1PTGS2TDP1
SCHEMBL27697444 0.87 KMT2A (0.49) KMT2ATSHRPTGS1PTGS2TDP1
SCHEMBL1397470 0.83 KMT2A (0.58) KMT2ATSHRTDP1PGRADRA2A
SCHEMBL8845741 0.82 KMT2A (0.55) KMT2ATSHRPTGS1PTGS2TDP1
SCHEMBL2097359 0.82 KMT2A (0.55) KMT2ATSHRPTGS1PTGS2TDP1
SCHEMBL10957360 0.81 KMT2A (0.50) KMT2ATSHRPTGS1PTGS2TDP1
SCHEMBL18082660 0.81 PLK1 (0.56) LMNASMN1; SMN2GAAALDH1A1HTT
SCHEMBL8532948 0.81 KMT2A (0.50) KMT2ATSHRPTGS1PTGS2TDP1
SCHEMBL18770496 0.81 KMT2A (0.50) KMT2ATSHRPTGS1PTGS2TDP1
SCHEMBL5866532 0.81 KMT2A (0.57) KMT2ATSHRTDP1PGRADRA2A

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-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US claimed
CN-107522751-B High-steric-hindrance chiral ferrocene P, N, N ligand, preparation method and application 中国科学院大连化学物理研究所 2020-01-21 CN disclosed
CN-107522751-A A kind of high steric-hindrance amino chiral ferrocene P, N, N part and preparation method and application 中国科学院大连化学物理研究所 2017-12-29 CN disclosed
CN-102516202-B N-fluoro-1, 1'-binaphthyl-2, 2'-sulfimide and preparation method thereof UNIV TIANJIN 2013-12-04 CN disclosed
CN-102516202-A N-fluoro-1, 1'-binaphthyl-2, 2'-sulfimide and preparation method thereof UNIV TIANJIN 2012-06-27 CN disclosed
EP-2397504-A1 (METH)ACRYLATE COMPOUND CONTAINING AROMATIC GROUP Showa Denko K.K. (JP) 2011-12-21 EP disclosed
US-20110294948-A1 AROMATIC GROUP-CONTAINING (METH) ACRYLATE COMPOUND SHOWA DENKO K.K. (JP) 2011-12-01 US disclosed
CN-1090617-C Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 2002-09-11 CN disclosed
CN-1349796-A Pyrrole derivatives and medicine composition NIPPON SHINYAKU CO LTD (JP) 2002-05-22 CN disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 CN disclosed
US-5200518-A Reduced side effcts KANGWEON NATIONAL UNIVERSITY (KR) 1993-04-06 US disclosed
EP-0114059-B1 METHOD OF PREPARING A POLYAMIDE ACID COMPOSITION FOR PREPARING POLYIMIDE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-06-14 EP disclosed
US-4515915-A Polyamide acid composition for preparing polyimide KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-07 US disclosed
EP-0114059-A2 Method of preparing a polyamide acid composition for preparing polyimide KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-07-25 EP disclosed
EP-0045198-A2 1,1-Disubstituted carba-2-penems and their production Takeda Chemical Industries, Ltd. (JP) 1982-02-03 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 (1 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-20110294948-A1 AROMATIC GROUP-CONTAINING (METH) ACRYLATE COMPOUND ACR, MMAB, ATR KMT2A 811/4885TSHR 1638/4885PTGS1 2157/4885

“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.