SCHEMBL880167

SCHEMBL880167

CC(C)c1cc2c(cc1Cl)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAAR1 Q96RJ0 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
ADAM17 P78536 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL13341067 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2APTGS2
SCHEMBL12210461 0.84 TAAR1 (0.42) CYP2D6CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL22797743 0.84 KCNH2 (0.38) CYP2D6CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL6339496 0.84 PDE2A (0.40) CYP2D6CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL21318796 0.81 TAAR1 (0.37) CYP2D6CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL11374123 0.80 MAPT (0.36) CYP2D6CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL10911487 0.79 SMAD3 (0.36) CYP3A4SLC6A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL11974261 0.77 MAPT (0.39) CYP2D6CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL5302174 0.77 AHR (0.53) CYP3A4ALDH1A1MEN1KMT2AMCL1
SCHEMBL30787730 0.77 AHR (0.53) CYP3A4ALDH1A1MEN1KMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2023-05-02 US disclosed
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2023-05-02 US disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 US disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 WO disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 WO disclosed
WO-2012038097-A1 USE OF A NEW CLASS OF NUCLEOTIDE SUGAR AS ANTIBIOTIC OR CYTOSTATIC AGENT Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2012-03-29 WO disclosed
EP-2433948-A1 Use of a new class of nucleotide sugar as antibiotic or cytostatic agent Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-28 EP disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 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 (11 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-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing OR51E2, OR10J3, ORC3 CYP2D6 3822/4885CYP1A2 2595/4885CYP3A4 2641/4885
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CYP2D6 3832/4885CYP1A2 2692/4885CYP3A4 3714/4885
US-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP2D6 4699/4885CYP1A2 3818/4885CYP3A4 3922/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 CYP2D6 4715/4885CYP1A2 3935/4885CYP3A4 3964/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT CYP2D6 156/4885CYP1A2 298/4885CYP3A4 239/4885
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors TP53, MDM2, TP53BP1 CYP2D6 947/4885CYP1A2 992/4885CYP3A4 802/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 CYP2D6 603/4885CYP1A2 632/4885CYP3A4 520/4885
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ CYP2D6 3798/4885CYP1A2 4319/4885CYP3A4 4377/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP2D6 4699/4885CYP1A2 3818/4885CYP3A4 3922/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CYP2D6 3832/4885CYP1A2 2692/4885CYP3A4 3714/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 CYP2D6 3832/4885CYP1A2 2692/4885CYP3A4 3714/4885

“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.