SCHEMBL679325

SCHEMBL679325

CC(O)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
EPHX1 P07099 1/20 0.38
EPHX2 P34913 4/20 0.38
HSD11B1 P28845 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL677067 0.77 MEN1 (0.39) CYP2C9EPHX1EPHX2
SCHEMBL3279703 0.72 CYP2C9 (0.41) CYP2C9EPHX1EPHX2HSD11B1
SCHEMBL6655791 0.72 CYP2C9 (0.35) CYP2C9EPHX1EPHX2
SCHEMBL2995688 0.72 CYP2C9 (0.41) CYP2C9EPHX1EPHX2HSD11B1
SCHEMBL3279708 0.72 CYP2C9 (0.41) CYP2C9EPHX1EPHX2HSD11B1
SCHEMBL25465432 0.72 CYP2C9 (0.35) CYP2C9EPHX1EPHX2
SCHEMBL7714569 0.72 CYP2C9 (0.35) CYP2C9EPHX1EPHX2
SCHEMBL1548216 0.72 SLC22A2 (0.39) CYP2C9EPHX1EPHX2
SCHEMBL26741944 0.72 SLC22A2 (0.39) CYP2C9EPHX1EPHX2
SCHEMBL8090288 0.71 SLC22A2 (0.30)

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
US-11912647-B2 Diversity-oriented synthesis of N,N,O-trisubstituted hydroxylamines from alcohols and amines by N—O bond formation UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
US-20210363098-A1 DIVERSITY-ORIENTED SYNTHESIS OF N,N,O-TRISUBSTITUTED HYDROXYLAMINES FROM ALCOHOLS AND AMINES BY N-O BOND FORMATION UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2021-11-25 US disclosed
CN-107556244-B Fused ring compound, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2021-09-03 CN disclosed
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC (US) 2016-08-18 US disclosed
US-9321764-B2 Dihydro-pyrrolopyridinone inhibitors ABBVIE INC. (US) 2016-04-26 US disclosed
EP-2970276-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
CN-105164130-A Dihydro-pyrrolopyridone bromodomain inhibitors ABBVIE INC 2015-12-16 CN disclosed
CN-104844532-A Antiviral compounds, and preparation method and use thereof ZHOU JINGYE 2015-08-19 CN disclosed
CN-104136471-A (meth) acrylate composition, resin, and molded body IDEMITSU KOSAN CO 2014-11-05 CN disclosed
EP-1789085-A2 CHANGE OF THE LOAD STATE OF MHC MOLECULES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2007-05-30 EP disclosed
US-20070015026-A1 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. 2007-01-18 US disclosed
US-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-08-24 US disclosed
WO-2006029891-A2 CHANGE OF THE LOAD STATE OF MHC MOLECULES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2006-03-23 WO disclosed
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP disclosed
US-4849172-A Optical sensor MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-07-18 US disclosed
CN-87104184-A PHOTOCHROMIC SPIROPYRAN COMPOUNDS 1988-06-29 CN disclosed
EP-0243116-A2 Optical sensor MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-10-28 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 (4 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-20210363098-A1 DIVERSITY-ORIENTED SYNTHESIS OF N,N,O-TRISUBSTITUTED HYDROXYLAMINES FROM ALCOHOLS AND AMINES BY N-O BOND FORMATION ADH5, ADH1A, NAT1 CYP2C9 298/4885EPHX1 1040/4885EPHX2 787/4885
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR CYP2C9 649/4885EPHX1 875/4885EPHX2 2083/4885
US-11912647-B2 Diversity-oriented synthesis of N,N,O-trisubstituted hydroxylamines from alcohols and amines by N—O bond formation ADH5, ADH1A, NAT1 CYP2C9 282/4885EPHX1 1088/4885EPHX2 863/4885
US-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts ALDH3A1, ALDH1A1, POLL CYP2C9 2615/4885EPHX1 436/4885EPHX2 609/4885

“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.