SCHEMBL759880

SCHEMBL759880

CC(C)[C@H](CO)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.61
TRPA1 O75762 6/20 0.52
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
CYP2D6 P10635 2/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA1A P35348 1/20 0.43
RGS12 O14924 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL873143 1.00 TAAR1 (0.61) TAAR1TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL9908239 1.00 TAAR1 (0.61) TAAR1TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL11744344 0.85 SLC6A2 (0.50) TAAR1TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL111159 0.84 TRPA1 (0.50) TAAR1TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL27991213 0.84 TRPA1 (0.52) TAAR1TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL17363629 0.82 TAAR1 (0.57) TAAR1TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL5232999 0.82 TAAR1 (0.57) TAAR1TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL12073186 0.82 TAAR1 (0.57) TAAR1TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL25677441 0.81 TRPA1 (0.55) TAAR1TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL13909501 0.80 TRPA1 (0.52) TAAR1TRPA1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2022-07-14 US disclosed
US-10561749-B2 Nuclear medicine diagnostic imaging agent KYOTO UNIVERSITY (JP) 2020-02-18 US disclosed
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2019-09-26 US disclosed
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2019-09-19 US disclosed
US-10285990-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2019-05-14 US disclosed
US-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2017-11-23 US disclosed
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 US disclosed
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 US disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
WO-2007104162-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 WO disclosed
US-7265228-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2007-09-04 US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 US disclosed
US-7199123-B2 Pyrazine compounds as transforming growth factor (TGF) compounds PFIZER INC. (US) 2007-04-03 US disclosed
US-7196205-B2 Synthesis of amino ceramide-like compounds; for treating Tay-Sachs, Gaucher's or Fabry's disease; amenable to large scale preparations THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-03-27 US disclosed
US-7196205-B2 Synthesis of amino ceramide-like compounds; for treating Tay-Sachs, Gaucher's or Fabry's disease; amenable to large scale preparations THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-03-27 US disclosed
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents GENZYME CORPORATION 2003-03-13 US disclosed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP 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 (9 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TAAR1 703/4885TRPA1 197/4885SLC6A2 3562/4885
US-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 TAAR1 4553/4885TRPA1 4818/4885SLC6A2 436/4885
US-10285990-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 TAAR1 703/4885TRPA1 197/4885SLC6A2 3562/4885
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TAAR1 703/4885TRPA1 197/4885SLC6A2 3562/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 TAAR1 4287/4885TRPA1 4794/4885SLC6A2 4572/4885
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TAAR1 703/4885TRPA1 197/4885SLC6A2 3562/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 TAAR1 4350/4885TRPA1 3765/4885SLC6A2 860/4885
US-10561749-B2 Nuclear medicine diagnostic imaging agent EGFR, FGFR1, ERBB2 TAAR1 201/4885TRPA1 3807/4885SLC6A2 1573/4885
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents UGCG, UGGT1, LCLAT1 TAAR1 3760/4885TRPA1 4552/4885SLC6A2 1402/4885

“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.