SCHEMBL9508337

SCHEMBL9508337

COC(C)(C)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ACHE P22303 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA5A P35218 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP19A1 P11511 1/20 0.34
HSD11B1 P28845 1/20 0.33
CA7 P43166 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RELA Q04206 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL43313 0.89 MAPK1 (0.46) TSHRTDP1MAPK1NPC1MAPT
SCHEMBL18253223 0.81 TSHR (0.50) TSHRACHETDP1MAPK1NPC1
SCHEMBL21845090 0.81 TSHR (0.57) TSHRACHETDP1MAPK1NPC1
SCHEMBL4188808 0.81 KIF11 (0.41) MAPK1ALDH1A1ALOX15CYP19A1HSD11B1
SCHEMBL11152162 0.81 MAPK1 (0.59) TSHRACHETDP1MAPK1NPC1
SCHEMBL17885011 0.80 TSHR (0.50) TSHRACHETDP1NPC1MAPT
SCHEMBL7609864 0.79 TSHR (0.55) TSHRACHETDP1NPC1MAPT
SCHEMBL9504874 0.79 TSHR (0.62) TSHRACHETDP1MAPK1NPC1
SCHEMBL18910984 0.78 CYP2A6 (0.52) TSHRACHETDP1MAPTALDH1A1
P-Xylene SCHEMBL19859054 0.77 ACHE (0.53) TSHRACHETDP1ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352672-A2 Process for the preparation of alkenyl aromatic compounds BASF Aktiengesellschaft (DE) 1990-01-31 EP claimed
WO-2024134657-A1 PYRROLOPYRIDINE AND PYRROLOPYRIDAZINE BASED COMPOUNDS AND USE THEREOF AS PKR INHIBITORS PROTEKT THERAPEUTICS LTD. (IL) 2024-06-27 WO disclosed
EP-3628044-B1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2023-11-22 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
CN-107569645-B Mongolian medicine for regulating stomach and intestine and its preparing method 内蒙古民族大学附属医院 2021-01-15 CN disclosed
US-9778569-B2 Positive photosensitive resin composition, method for producing film using same, and electronic component CENTRAL GLASS COMPANY, LIMITED (JP) 2017-10-03 US disclosed
US-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 US disclosed
US-20160266491-A1 Positive Photosensitive Resin Composition, Method for Producing Film Using Same, and Electronic Component CENTRAL GLASS COMPANY, LIMITED (JP) 2016-09-15 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
EP-0275489-B1 BENZALDEHYDE DERIVATIVES, THEIR PREPARATION AND APPLICATION BASF Aktiengesellschaft (DE) 1989-08-09 EP disclosed
US-4847425-A Prepartion of 4-isopropylcyclohexylmethanol and its alkyl ethers BASF AKTIENGESELLSCHAFT (DE) 1989-07-11 US disclosed
US-4814510-A Novel benzaldehyde derivatives, their preparation, and their use BASF AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed
EP-0293739-A1 Method for the production of 4-isopropyl-cyclohexylmethanol or its alkyl ethers BASF Aktiengesellschaft (DE) 1988-12-07 EP disclosed
EP-0275489-A1 Benzaldehyde derivatives, their preparation and application BASF Aktiengesellschaft (DE) 1988-07-27 EP disclosed
EP-0261962-A2 Process for producing propylene block copolymer MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1988-03-30 EP disclosed
US-4457810-A ANODIC OXIDATION OF DI-P-TOLYL ETHER IN PRESENCE OF METHANOL HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-03 US disclosed
EP-0054698-B1 4,4'-DIPHENYL ETHER-DIALDEHYDE-BIS-DIMETHYL ACETAL, AND A METHOD FOR ITS PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-20 EP disclosed
US-4405816-A INTERMEDIATES FOR POLYETHERS AND LIGHT SEN ITIVE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
EP-0054698-A1 4,4'-Diphenyl ether-dialdehyde-bis-dimethyl acetal, and a method for its preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-30 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 (2 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TSHR 2808/4885ACHE 4790/4885TDP1 762/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 TSHR 4306/4885ACHE 4294/4885TDP1 1361/4885

“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.