SCHEMBL9908239

SCHEMBL9908239

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
SCHEMBL759880 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230024302-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS ARCUS BIOSCIENCES, INC. 2023-01-26 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
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-23 US disclosed
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-23 US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 US disclosed
US-7388009-B2 Heteroaryl-substituted pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 US disclosed
US-7304071-B2 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TAAR1 703/4885TRPA1 197/4885SLC6A2 3562/4885
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 TAAR1 484/4885TRPA1 3189/4885SLC6A2 4371/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS TAAR1 1987/4885TRPA1 3301/4885SLC6A2 298/4885
US-20230024302-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS PIK3CA, PIK3CG, PIK3CD TAAR1 4556/4885TRPA1 3556/4885SLC6A2 4879/4885
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 TAAR1 1008/4885TRPA1 3454/4885SLC6A2 4059/4885
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 TAAR1 2591/4885TRPA1 3777/4885SLC6A2 3646/4885
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT TAAR1 4535/4885TRPA1 4878/4885SLC6A2 4545/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX TAAR1 2163/4885TRPA1 3264/4885SLC6A2 3390/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TAAR1 703/4885TRPA1 197/4885SLC6A2 3562/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 TAAR1 372/4885TRPA1 137/4885SLC6A2 1983/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 TAAR1 1803/4885TRPA1 1023/4885SLC6A2 3438/4885

“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.