SCHEMBL691332

SCHEMBL691332

[CH2]C(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ACP3 P15309 2/20 0.43
CYP17A1 P05093 1/20 0.43
GRIA4 P48058 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL42818 0.84
SCHEMBL316110 0.84
SCHEMBL1870280 0.84
Hydrochloric Acid SCHEMBL10398523 0.81 TDP1 (0.48) ALDH1A1TAAR1
SCHEMBL28147710 0.81 MIF (0.44) ALDH1A1TAAR1
SCHEMBL27418689 0.81 MIF (0.44) ALDH1A1TAAR1
SCHEMBL9539624 0.81 ESR1 (0.38)
SCHEMBL27616490 0.79 RXRA (0.49) PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL20833031 0.79 PTGS2 (0.58) PTGS2CHRNB2CHRNA4CYP3A4ALDH1A1
SCHEMBL40528 0.79 PTGS2 (0.58) PTGS2CHRNB2CHRNA4CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991002714-A1 AUTOMATED PEPTIDE DESIGN AND SYNTHESIS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-03-07 WO claimed
CN-105408344-B Peptide-resin conjugates and uses thereof 佩特雷化学和生物制药学实验室有限公司 2020-08-11 CN disclosed
WO-2015131100-A1 LIGAND-CONTROLLED C(SP3)-H ARYLATION AND OLEFINATION IN SYNTHESIS OF UNNATURAL CHIRAL ALPHA AMINO ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-03 WO disclosed
US-20140343227-A1 Diketopiperazine Forming Dipeptidyl Linker LONZA AG (CH) 2014-11-20 US disclosed
US-20140275463-A1 ORGANOSILICON COMPOUND AND PRODUCTION PROCESS FOR THE SAME, AND POLYSILOXANE AND PRODUCTION PROCESS FOR THE SAME CHISSO PETROCHEMICAL CORPORATION (JP) 2014-09-18 US disclosed
US-8802819-B2 Diketopiperazine forming dipeptidyl linker LONZA LTD. (CH) 2014-08-12 US disclosed
EP-1548020-B1 SILICON COMPOUND JNC CORP (JP) 2014-07-23 EP disclosed
EP-2632936-A1 DIKETOPIPERAZINE FORMING DIPEPTIDYL LINKER Lonza Ltd (CH) 2013-09-04 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8367792-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2013-02-05 US disclosed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO disclosed
WO-1998017647-A1 PIPERIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 1998-04-30 WO disclosed
WO-1998007685-A1 PREPARATION OF CYCLOHEXENE CARBOXYLATE DERIVATIVES GILEAD SCIENCES, INC. (US) 1998-02-26 WO disclosed
EP-0821690-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 1998-02-04 EP disclosed
WO-1997049723-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACID TO CELLS GILEAD SCIENCES, INC. (US) 1997-12-31 WO disclosed
EP-0789695-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1997-08-20 EP disclosed
WO-1997010221-A1 SYNTHESIS OF QUINAZOLINONE LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-03-20 WO disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed
WO-1991002714-A1 AUTOMATED PEPTIDE DESIGN AND SYNTHESIS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-03-07 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 (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-20140275463-A1 ORGANOSILICON COMPOUND AND PRODUCTION PROCESS FOR THE SAME, AND POLYSILOXANE AND PRODUCTION PROCESS FOR THE SAME PIEZO1, PFAS, MCM6 PTGS2 1191/4885CHRNB2 4422/4885CHRNA4 3975/4885
US-20140343227-A1 Diketopiperazine Forming Dipeptidyl Linker FAP, IAPP, DNPEP PTGS2 2525/4885CHRNB2 4341/4885CHRNA4 4328/4885

“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.