SCHEMBL20609656

SCHEMBL20609656

CC(C)(C)Cc1ccc(CC(C)(C)C)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
FDPS P14324 1/20 0.37
GGPS1 O95749 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNA4 P43681 1/20 0.36
IDO1 P14902 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP3A4 P08684 3/20 0.33
PNMT P11086 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 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
SCHEMBL14565818 0.87 SIGMAR1 (0.34) ESR1FDPSGGPS1SLC6A2SLC6A4
SCHEMBL14565885 0.87 ESR1 (0.37) ESR1FDPSGGPS1SLC6A2SLC6A4
SCHEMBL16116520 0.86 ESR1 (0.44) ESR1FDPSGGPS1SLC6A2SLC6A4
SCHEMBL16116544 0.86 ESR1 (0.39) ESR1FDPSGGPS1SLC6A2SLC6A4
SCHEMBL74006 0.83 IDO1 (0.52) ESR1FDPSSLC6A2SLC6A4SLC6A3
SCHEMBL6886022 0.81 GGPS1 (0.55) ESR1GGPS1SLC6A2SLC6A4SLC6A3
SCHEMBL9917301 0.79 CYP3A4 (0.48) ESR1FDPSSLC6A2SLC6A4SLC6A3
SCHEMBL803376 0.79 GGPS1 (0.37) ESR1GGPS1SLC6A2SLC6A4SLC6A3
SCHEMBL15943539 0.79 FDPS (0.34) FDPSGGPS1SLC6A2SLC6A4SLC6A3
SCHEMBL13873011 0.78 IDO1 (0.50) ESR1GGPS1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043997-A1 COMPOSITE MEMBRANE WITH NANOSELECTIVE SURFACE FOR ORGANIC SOLVENT NANOFILTRATION W. L. GORE & ASSOCIATES, INC. 2023-02-09 US disclosed
US-20220143002-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-05-12 US disclosed
WO-2020260393-A1 MODIFICATION OF STRESS RESPONSE AND ADHESION BEHAVIOR OF DIELECTRIC THROUGH TUNING OF MECHANICAL PROPERTIES FLEXENABLE LIMITED (GB) 2020-12-30 WO disclosed
US-10167410-B2 Using chemical vapor deposited films to control domain orientation in block copolymer thin films BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-01 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 (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-20220143002-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF GLS, SQOR, GCDH ESR1 3329/4885FDPS 602/4885GGPS1 89/4885

“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.