SCHEMBL6679628

SCHEMBL6679628

CCC(C)c1ccccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.49
NISCH Q9Y2I1 1/20 0.49
HTT P42858 2/20 0.48
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL19314294 1.00 TSHR (0.57) TSHRCA1CA2L3MBTL1CA12
SCHEMBL29657286 1.00 TSHR (0.57) TSHRCA1CA2L3MBTL1CA12
SCHEMBL19355318 1.00 TSHR (0.57) TSHRCA1CA2L3MBTL1CA12
SCHEMBL8411618 0.89 TSHR (0.47) TSHRCA1CA2L3MBTL1CA12
SCHEMBL7710832 0.87 TSHR (0.57) TSHRL3MBTL1KDM4EATMNISCH
SCHEMBL12188826 0.85 L3MBTL1 (0.56) TSHRL3MBTL1KDM4EATMNISCH
SCHEMBL19122587 0.85 L3MBTL1 (0.56) TSHRL3MBTL1KDM4EATMNISCH
SCHEMBL25454450 0.84 TSHR (0.50) TSHRCA1CA2L3MBTL1CA12
SCHEMBL19121850 0.83 TSHR (0.53) TSHRL3MBTL1KDM4EATMNISCH
SCHEMBL190108 0.83 TSHR (0.59) TSHRL3MBTL1KDM4EATMNISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059951-A1 INHIBITORS OF THE ANDROGEN RECEPTOR DNA-BINDING DOMAIN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-03-28 WO disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
WO-2020206424-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
US-9790436-B2 Methods and systems for processing cellulosic biomass SHELL OIL COMPANY (US) 2017-10-17 US disclosed
EP-3214497-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, PHOTO-CURABLE DRY FILM AND METHOD FOR PRODUCING THE SAME, PATTERNING PROCESS, AND LAMINATE Shin-Etsu Chemical Co., Ltd. (JP) 2017-09-06 EP disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-9744176-B2 Therapeutic uses of novel thienopyrimidine derivatives SANOFI (FR) 2017-08-29 US disclosed
EP-3201237-A1 METHODS AND SYSTEMS FOR PROCESSING CELLULOSIC BIOMASS Shell Internationale Research Maatschappij B.V. (NL) 2017-08-09 EP disclosed
EP-3201257-A1 METHODS AND SYSTEMS FOR PROCESSING CELLULOSIC BIOMASS Shell Internationale Research Maatschappij B.V. (NL) 2017-08-09 EP disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0275007-A2 Process for the preparation of highly molecular, optionally branched polyarylene sulfides BAYER AG (DE) 1988-07-20 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 (5 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-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, RTF2 TSHR 1965/4885CA1 4287/4885CA2 1621/4885
US-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS TSHR 4359/4885CA1 3274/4885CA2 1694/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 TSHR 2080/4885CA1 4882/4885CA2 3603/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK TSHR 3944/4885CA1 3949/4885CA2 1155/4885
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2723/4885CA1 4884/4885CA2 2789/4885

“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.