SCHEMBL11574451

SCHEMBL11574451

CC(C)c1cc(Cl)cc(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB1 P18505 1/20 0.46
TSHR P16473 1/20 0.41
GABRB2 P47870 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ADRB2 P07550 1/20 0.36
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
TYR P14679 2/20 0.35
FABP5 Q01469 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
EIF4A3 P38919 1/20 0.33
PGR P06401 1/20 0.32
HTT P42858 3/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
TP53 P04637 2/20 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
Hydrogen Peroxide SCHEMBL11577393 0.94 GABRA1 (0.48) GABRA1GABRB1TSHRGABRB2CNR1
SCHEMBL422198 0.94 TSHR (0.50) GABRA1GABRB1TSHRGABRB2CNR1
Ammonia Solution, Strong SCHEMBL5676040 0.91 TSHR (0.47) GABRA1GABRB1TSHRGABRB2CNR1
SCHEMBL6124148 0.84 GABRA1 (0.39) GABRA1GABRB1TSHRGABRB2CNR1
SCHEMBL22861020 0.83 ALDH1A1 (0.36) GABRA1GABRB1TSHRCNR1CNR2
SCHEMBL338867 0.83 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4TYR
SCHEMBL4547915 0.82 TRPM8 (0.38) GABRA1GABRB1TSHRGABRB2CNR1
SCHEMBL20844085 0.82 GABRA1 (0.38) GABRA1GABRB1TSHRGABRB2CNR1
SCHEMBL16959948 0.82 GABRA1 (0.38) GABRA1GABRB1TSHRGABRB2CNR1
SCHEMBL13523275 0.82 GABRA1 (0.48) GABRA1GABRB1TSHRGABRB2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230295146-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES 1 AND 4 THE UNIVERSITY OF ROCHESTER 2023-09-21 US disclosed
US-20230295146-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES 1 AND 4 THE UNIVERSITY OF ROCHESTER 2023-09-21 US disclosed
US-11746120-B2 Stat degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 US disclosed
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-08-25 US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 US disclosed
WO-2021009566-A1 N-((1,2,3,5,6,7-HEXAHYDRO-S-INDACEN-4-YL)CARBAMOYL)-4,5,6,7-TETRAHYDROBENZOFURAN -2-SULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NLPR3 MODULATORS FOR THE TREATMENT OF MULTIPLE SCLEROSIS (MS) ZOMAGEN BIOSCIENCES LTD (US) 2021-01-21 WO disclosed
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 EP disclosed
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
US-20100003214-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-01-07 US disclosed
US-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 US disclosed
US-4088699-A PRODUCTION OF ARALKYL TERTIARY HYDROPEROXIDES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-05-09 US disclosed
US-4080386-A OXIDATION OF AN ARYL TERTIARY ALKANE, TREATING RECYCLE STREAM WITH AN ALKALINE EXTRACTANT THE GOODYEAR TIRE & RUBBER CO. (US) 1978-03-21 US disclosed
US-3978142-A BY ACID REARRANGEMENT 3978142 MOD 3978142 AND CLEAVAGE OF ARALKYL TERTIARY POLYHYDROPEROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-08-31 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-20230295146-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES 1 AND 4 IRAK4, IRAK1, IRAK2 GABRA1 1889/4885GABRB1 2111/4885TSHR 2312/4885
US-20080085891-A1 Asthma and allergic inflammation modulators IL5, TSLP, CYSLTR2 GABRA1 398/4885GABRB1 717/4885TSHR 4687/4885
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF IL1B, IL1A, CASP1 GABRA1 2195/4885GABRB1 2210/4885TSHR 4645/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 GABRA1 444/4885GABRB1 212/4885TSHR 4245/4885
US-11746120-B2 Stat degraders and uses thereof STAT4, STAT1, STAT3 GABRA1 2966/4885GABRB1 3368/4885TSHR 1768/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 GABRA1 3538/4885GABRB1 2374/4885TSHR 4554/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GABRA1 3359/4885GABRB1 2279/4885TSHR 4778/4885
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF STAT4, STAT1, STAT3 GABRA1 2966/4885GABRB1 3368/4885TSHR 1768/4885
US-20100003214-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CYP3A4, CYP3A5, KEAP1 GABRA1 4854/4885GABRB1 4834/4885TSHR 4866/4885
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 GABRA1 1719/4885GABRB1 858/4885TSHR 4179/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 GABRA1 3538/4885GABRB1 2374/4885TSHR 4554/4885

“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.