SCHEMBL799541

SCHEMBL799541

CC(C)(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 1/20 0.46
AHR P35869 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
CASR P41180 1/20 0.40
LMNA P02545 1/20 0.40
TYR P14679 1/20 0.40
SSTR4 P31391 1/20 0.39

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
SCHEMBL19785373 0.82 ALDH1A1 (0.47) TSHRALDH1A1HSD17B10HPGDALOX15
SCHEMBL11665761 0.82 TSHR (0.65) TSHRALDH1A1HSD17B10AHRTP53
SCHEMBL10347814 0.82 TSHR (0.58) TSHRALDH1A1HSD17B10AHRTP53
SCHEMBL9912479 0.82 TSHR (0.46) TSHRALDH1A1HSD17B10HPGDALOX15
SCHEMBL19785388 0.82 ALDH1A1 (0.47) TSHRALDH1A1HSD17B10HPGDALOX15
SCHEMBL14602201 0.81 AHR (0.61) TSHRAHRLMNATYRKIF11
SCHEMBL8192026 0.80 TSHR (0.56) TSHRALDH1A1HSD17B10AHRTP53
SCHEMBL3075392 0.80 TSHR (0.56) TSHRALDH1A1HSD17B10CYP2C19AHR
SCHEMBL10610735 0.80 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10HPGDALOX15
SCHEMBL799977 0.80 CYP3A4 (0.48) TSHRALDH1A1HSD17B10HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4162354-A MERCAPTANS AND HALOGENATED HYDROCARBONS THE FIRESTONE TIRE & RUBBER CO. (US) 1979-07-24 US claimed
CN-119708022-A Boron-nitrogen-containing organic compound, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2025-03-28 CN disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 WO disclosed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US disclosed
US-4162354-A MERCAPTANS AND HALOGENATED HYDROCARBONS THE FIRESTONE TIRE & RUBBER CO. (US) 1979-07-24 US disclosed
US-4102761-A Radiation cure of synthetic rubbers THE FIRESTONE TIRE & RUBBER COMPANY (US) 1978-07-25 US disclosed
US-4005218-A Antiparasitic salicylanilide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1977-01-25 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 (8 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-20070066599-A1 New compounds SULT2A1, GPR119, STS TSHR 1178/4885ALDH1A1 363/4885HSD17B10 367/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 TSHR 1299/4885ALDH1A1 262/4885HSD17B10 456/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 TSHR 1824/4885ALDH1A1 1867/4885HSD17B10 3085/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 TSHR 4567/4885ALDH1A1 3639/4885HSD17B10 2057/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 TSHR 3103/4885ALDH1A1 3144/4885HSD17B10 2858/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 TSHR 692/4885ALDH1A1 2178/4885HSD17B10 2753/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 TSHR 4567/4885ALDH1A1 3639/4885HSD17B10 2057/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 TSHR 4360/4885ALDH1A1 3575/4885HSD17B10 4379/4885

“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.