SCHEMBL1312347

SCHEMBL1312347

CC(C)Cc1cc(CC(C)C)cc(CC(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX5 P09917 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
NR1I3 Q14994 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
CXCL8 P10145 1/20 0.39
TSHR P16473 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
SCHEMBL28260120 0.88 GABRA1 (0.40) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL16962399 0.88 NOS2 (0.43) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL16962398 0.86 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL4968027 0.86 GABRA1 (0.48) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL16960175 0.86 GABRA1 (0.43) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL23082776 0.86 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL9372229 0.86 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL17916301 0.86 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL18096507 0.86 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL11768580 0.86 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143574-B Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone 南昌大学 2024-09-13 CN claimed
CN-116143574-A Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone 南昌大学 2023-05-23 CN claimed
CN-116143574-B Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone 南昌大学 2024-09-13 CN disclosed
CN-116143574-B Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone 南昌大学 2024-09-13 CN disclosed
CN-116143574-B Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone 南昌大学 2024-09-13 CN disclosed
CN-116143574-A Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone 南昌大学 2023-05-23 CN disclosed
CN-116143574-A Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone 南昌大学 2023-05-23 CN disclosed
CN-116143574-A Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone 南昌大学 2023-05-23 CN disclosed
WO-2022142512-A1 SEMI-AROMATIC POLYESTER, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏金发科技新材料有限公司 2022-07-07 WO disclosed
EP-2930179-B1 RUTHENIUM COMPLEX AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM TOSOH CORP (JP) 2018-09-05 EP disclosed
US-9349601-B2 Ruthenium complex, method for producing same, and method for producing ruthenium-containing thin film TOSOH CORPORATION (JP) 2016-05-24 US disclosed
US-20150303063-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2015-10-22 US disclosed
EP-2930179-A1 RUTHENIUM COMPLEX AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM Tosoh Corporation (JP) 2015-10-14 EP disclosed
CN-104903337-A Ruthenium complex and method for producing same, and method for producing ruthenium-containing thin film TOSOH CORP 2015-09-09 CN disclosed
CN-101232081-B Patterning method of organic electroluminescent device YAMAGATA PROMOTIONAL ORG IND 2011-11-16 CN disclosed
US-8053176-B2 irradiation of a polynuclear phenanthroline derivative such as (1,4-di(1,10-phenanthroline-2-yl)benzene layer between transparent counter electrodes, while controlling the radiation intensity, to form an emission pattern having contrast caused by the luminous brightness YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2011-11-08 US disclosed
CN-101232081-A Patterning method of organic electroluminescent device YAMAGATA PROMOTIONAL ORG IND (JP) 2008-07-30 CN disclosed
US-20080131816-A1 PATTERNING METHOD OF ORGANIC ELECTROLUMINESCENT DEVICE YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2008-06-05 US disclosed
EP-1928040-A2 Patterning method of organic electroluminescent device Yamagata Promotional Organization for Industrial Technology (JP) 2008-06-04 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 (1 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-20150303063-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM OR10J3, NOX5, CYB5R3 GABRA1 4100/4885GABRB2 4219/4885PTGS1 1884/4885

“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.