SCHEMBL119992

SCHEMBL119992

O=[C]OC(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CYP2D6 P10635 2/20 0.34
SRC P12931 1/20 0.34
CYP1A2 P05177 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 3/20 0.33
DPP4 P27487 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
F2 P00734 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL7454768 1.00 TSHR (0.44) TSHRCYP2D6SRCCYP1A2PKM
SCHEMBL857 0.76 IDO1 (0.39) TSHRCYP2D6SRCCYP1A2PKM
SCHEMBL131810 0.73 CES2 (0.41) TSHRCYP2D6SRCCYP1A2PKM
SCHEMBL535087 0.73 DPP4 (0.44) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL3936005 0.73 LMNA (0.43) TSHRCYP2D6SRCCYP1A2PKM
SCHEMBL2657967 0.73 CYP2D6 (0.34) TSHRCYP2D6SRCCYP1A2PKM
SCHEMBL16970628 0.73 HCAR2 (0.43) LMNAKMT2AALDH1A1
SCHEMBL96935 0.73 HCAR2 (0.43) LMNAKMT2AALDH1A1
SCHEMBL16970750 0.73 HCAR2 (0.43) LMNAKMT2AALDH1A1
SCHEMBL4975762 0.72 KDM4E (0.38) TSHRCYP2D6CYP1A2SMN1; SMN2LMNA

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 1326 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831059-B1 PROCESSES FOR PREPARING TUBULYSIN DERIVATIVES AND CONJUGATES THEREOF ENDOCYTE INC (US) 2017-11-29 EP claimed
US-9738633-B2 Cognition enhancing compounds and compositions, methods of making, and methods of treating NEUROSOLIS, INC. (US) 2017-08-22 US claimed
WO-2016178250-A1 PROCESS FOR THE PREPARATION OF DACLATASVIR MYLAN LABORATORIES LIMITED (IN) 2016-11-10 WO claimed
EP-2523944-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING Mithridion, Inc. (US) 2012-11-21 EP claimed
US-20120046273-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2012-02-23 US claimed
EP-2403340-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING Mithridion, Inc. (US) 2012-01-11 EP claimed
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MAPLIGHT THERAPEUTICS, INC. 2011-10-27 US claimed
WO-2011114071-A2 SYNTHETIC CYCLOPEPTIDE, PREPARATION PROCESS AND USES Université de Picardie Jules Verne (FR) 2011-09-22 WO claimed
WO-2011085406-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2011-07-14 WO claimed
WO-2010102218-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2010-09-10 WO claimed
US-5393878-A Pyrimidine nucleosides having cyclopentafuran skeleton CIBA-GEIGY CORPORATION (US) 1995-02-28 US claimed
US-5360928-A Synthesis and use of amino acid fluorides as peptide coupling reagents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-11-01 US claimed
US-5319080-A Antiviral agents CIBA-GEIGY CORPORATION (US) 1994-06-07 US claimed
EP-0348892-A2 Sialic acid-bonded octapeptide and preparation thereof MECT CORPORATION (JP) 1990-01-03 EP claimed
US-4505857-A DISPERSE DYES FOR TEXTILE DYEING; COLORFASTNESS SANDOZ LTD. (CH) 1985-03-19 US claimed
EP-0066378-B1 PHARMACEUTICAL SPIRO-HYDANTOIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-02 EP claimed
US-4386100-A COMPLICATIONS OF DIABETES OR GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-31 US claimed
EP-0066378-A1 Pharmaceutical spiro-hydantoin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-08 EP claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4133782-A INHIBITION OF GROWTH HORMONE, INSULIN AND GLUCAGON SECRETION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1979-01-09 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120046273-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING CHRM3, CHRM4, CHRM5 TSHR 426/4885CYP2D6 1517/4885SRC 3579/4885
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING CHRM3, ACHE, CHRM4 TSHR 1837/4885CYP2D6 596/4885SRC 3663/4885

“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.