SCHEMBL434649

SCHEMBL434649

COC(=O)OC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
GAA P10253 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL27777776 0.92 POLB (0.53) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL2542606 0.85 POLB (0.49) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL27710802 0.85 POLB (0.52) POLBHDAC3HDAC4HDAC7HDAC8
Benzylhydrazine SCHEMBL21925559 0.84 IDO1 (0.46) POLBSLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL28058220 0.84 CYP3A4 (0.42) POLBGAASLC6A4SLC6A3KMT2A
SCHEMBL7596808 0.80 POLB (0.47) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL29229610 0.80 POLB (0.47) POLBKMT2AMEN1CYP1A2TSHR
SCHEMBL5730818 0.80 L3MBTL1 (0.50) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL4402923 0.80 POLB (0.71) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL30341829 0.80 POLB (0.71) POLBHDAC3HDAC4HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224474-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-07-31 CN claimed
CN-101027279-B Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-03-27 CN claimed
WO-2012083261-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-06-21 WO claimed
CN-101796062-A 6-disubstituted bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC 2010-08-04 CN claimed
CN-101490074-A 5'-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC (US) 2009-07-22 CN claimed
US-20210355154-A1 Halogenated Cholesterol Analogues and Methods of Making and Using Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-11-18 US disclosed
US-11117923-B2 Immune modulatory compositions RAJAPPAN KUMAR (US) 2021-09-14 US disclosed
EP-3856756-A1 HALOGENATED CHOLESTEROL ANALOGUES AND METHODS OF MAKING AND USING SAME The Regents Of The University Of Michigan (US) 2021-08-04 EP disclosed
WO-2021093846-A1 NOVEL TETRACYCLIC HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF 上海拓界生物医药科技有限公司 2021-05-20 WO disclosed
WO-2020069267-A1 HALOGENATED CHOLESTEROL ANALOGUES AND METHODS OF MAKING AND USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-04-02 WO disclosed
US-20200062799-A1 IMMUNE MODULATORY COMPOSITIONS RAJAPPAN KUMAR (US) 2020-02-27 US disclosed
CN-105793262-B Two cycloalkyne derivatives and application thereof 新加坡科技研究局 2019-09-03 CN disclosed
EP-1578734-A1 NOVEL ANTIBACTERIAL AGENTS Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-09-28 EP disclosed
CN-1617865-A benzyne ORTHO MCNEIL PHARM INC (US) 2005-05-18 CN disclosed
US-20050070526-A1 Novel antibacterial agents ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-03-31 US disclosed
CN-1568190-A Combination therapy comprising glucose reabsorption inhibitor and PPAR modulator ORTHO MCNEIL PHARM INC (US) 2005-01-19 CN disclosed
WO-2004018439-A1 NOVEL ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-03-04 WO disclosed
WO-2003093247-A2 ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-11-13 WO disclosed
EP-1259492-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-11-27 EP disclosed
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 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 (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-20050070526-A1 Novel antibacterial agents TBCD, OXA1L, ALPI POLB 881/4885HDAC3 1409/4885HDAC4 678/4885
US-20200062799-A1 IMMUNE MODULATORY COMPOSITIONS STING1, IFNAR1, IRF3 POLB 973/4885HDAC3 4699/4885HDAC4 4442/4885
US-11117923-B2 Immune modulatory compositions STING1, IFNAR1, IRF3 POLB 973/4885HDAC3 4699/4885HDAC4 4442/4885
US-20210355154-A1 Halogenated Cholesterol Analogues and Methods of Making and Using Same CYP46A1, DHCR7, CETP POLB 1161/4885HDAC3 2563/4885HDAC4 4209/4885

“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.