SCHEMBL6748173

SCHEMBL6748173

O=[C]C(Cl)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LTA4H P09960 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 9/20 0.35
PPARA Q07869 9/20 0.35
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3961288 0.77 TSHR (0.37) TSHRLTA4HMEN1ALDH1A1KMT2A
SCHEMBL7661580 0.76 LTA4H (0.39) TSHRLTA4HMEN1ALDH1A1KMT2A
SCHEMBL4405391 0.74 TSHR (0.33) TSHRLTA4HMEN1ALDH1A1KMT2A
SCHEMBL11289603 0.73 CHRM1 (0.37) TSHRLTA4HMEN1ALDH1A1KMT2A
SCHEMBL8012067 0.73 LTA4H (0.36) TSHRLTA4HMEN1ALDH1A1KMT2A
SCHEMBL25261859 0.73 LTA4H (0.36) TSHRLTA4HMEN1ALDH1A1KMT2A
SCHEMBL7362599 0.73 CA1 (0.37) TSHRLTA4HPPARGPPARAMTNR1A
SCHEMBL9353539 0.73 MTNR1A (0.42) TSHRLTA4HMEN1ALDH1A1KMT2A
SCHEMBL43675 0.73 MTNR1A (0.42) TSHRLTA4HMEN1ALDH1A1KMT2A
SCHEMBL4963146 0.73 MTNR1A (0.38) TSHRLTA4HMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066009-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools CHEMGENES CORP (US) 2018-03-08 US claimed
US-20140350234-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools CHEMGENES CORPORATION (US) 2014-11-27 US claimed
US-20040142946-A1 Modified nucleosides and nucleotides and use thereof CHATTOPADHYAYA JYOTI (SE) 2004-07-22 US claimed
EP-1332150-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF Chattopadhyaya, Jyoti (SE) 2003-08-06 EP claimed
WO-2002038578-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF CHATTOPADHYAYA JYOTI (SE) 2002-05-16 WO claimed
US-5721350-A Deuterated nucleosides CHATTOPADHYAYA JYOTI (SE) 1998-02-24 US claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US claimed
EP-3478691-A1 PRINS REACTION AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF HALICHONDRIN MACROLIDES AND ANALOGS THEREOF Eisai R&D Management Co., Ltd. (JP) 2019-05-08 EP disclosed
EP-3292130-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES AND OTHER FRAGMENTS USEFUL IN THE SYNTHESIS OF HALICHONDRIN MACROLIDES Eisai R&D Management Co., Ltd. (JP) 2018-03-14 EP disclosed
WO-2018006031-A1 PRINS REACTION AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF HALICHONDRIN MACROLIDES AND ANALOGS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-01-04 WO disclosed
WO-2016179607-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES AND OTHER FRAGMENTS USEFUL IN THE SYNTHESIS OF HALICHONDRIN MACROLIDES EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 WO disclosed
EP-3066102-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B Eisai R&D Management Co., Ltd. (JP) 2016-09-14 EP disclosed
EP-0362902-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-04-11 EP disclosed
EP-0241363-A1 Nucleoside derivatives and their use in the synthesis of oligonucleotides COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1987-10-14 EP disclosed
EP-0234036-A1 Use of amides for improving the tolerance of crops to herbicidally active sulfoxyl urea derivatives BAYER AG (DE) 1987-09-02 EP disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US disclosed
US-3723493-A S-ACYL DERIVATIVES OF 3-MERCAPTO-2-CHLOROPROOPYL N,N-DIALKYLTHIOLCARBAMATES CHEVRON RESEARCH COMPANY, SAN FRANCISCO, CA. A CORP. OF DE. 1973-03-27 US 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-20040142946-A1 Modified nucleosides and nucleotides and use thereof RNASEH1, RNASEL, NSUN2 TSHR 1258/4885LTA4H 519/4885MEN1 4771/4885
US-20140350234-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools UNG, OGG1, ADAR TSHR 1132/4885LTA4H 1989/4885MEN1 2445/4885
US-20180066009-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools UNG, OGG1, ADAR TSHR 1132/4885LTA4H 1989/4885MEN1 2445/4885

“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.