SCHEMBL478280

SCHEMBL478280

CC(C)(C)c1cc(CBr)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
HMGCR P04035 3/20 0.39
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 3/20 0.37
POLB P06746 1/20 0.37
HTR1D P28221 2/20 0.37
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR1B P28222 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL348572 0.95 GABRA1 (0.40) GABRA1GABRB2HMGCRRXRARXRB
SCHEMBL4391448 0.86 TACR1 (0.43) GABRA1GABRB2HMGCRRXRARXRB
SCHEMBL29727697 0.86 RXRB (0.44) GABRA1GABRB2HMGCRRXRARXRB
SCHEMBL8826658 0.84 GABRA1 (0.33) GABRA1GABRB2HMGCRPOLBHTR1D
SCHEMBL5352048 0.84 HMGCR (0.46) GABRA1GABRB2HMGCRPOLBHTR1D
SCHEMBL13208365 0.84 GABRA1 (0.33) GABRA1GABRB2HMGCRPOLBHTR1D
SCHEMBL29942298 0.84 HMGCR (0.46) GABRA1GABRB2HMGCRPOLBHTR1D
SCHEMBL14705813 0.82 ESR1 (0.41) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL3189726 0.81 GABRA1 (0.35) GABRA1GABRB2HMGCRRXRARXRB
SCHEMBL3195098 0.81 GABRA1 (0.35) GABRA1GABRB2HMGCRRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486852-A Fluorine-containing rotaxane molecule and preparation method and application thereof 中国科学院精密测量科学与技术创新研究院 2024-02-02 CN claimed
CN-114805152-B Synthetic method of thioamide 兰州大学 2023-04-14 CN claimed
CN-114805152-A Method for synthesizing thioamide 兰州大学 2022-07-29 CN claimed
EP-2145895-B1 Process for the manufacturing of glycochips COMMISSARIAT ENERGIE ATOMIQUE (FR) 2013-10-30 EP claimed
US-20100035353-A1 PROCESS FOR THE MANUFACTURING OF GLYCOCHIPS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-02-11 US claimed
EP-2145895-A1 Process for the manufacturing of glycochips Commissariat à l'Energie Atomique (FR) 2010-01-20 EP claimed
CN-122010944-A TBC1D 2-targeted aromatic methyl alkenyl matrine derivative and preparation method and application thereof 广西大学 2026-05-12 CN disclosed
US-12420270-B2 Molecular sieve SSZ-116, its synthesis and use CHEVRON U.S.A. INC. (US) 2025-09-23 US disclosed
US-12344533-B2 Molecular sieve SSZ-116, its synthesis and use CHEVRON U.S.A. INC. (US) 2025-07-01 US disclosed
EP-4298135-B1 BIS-PHENOXY-ETHER LIGANDS FOR GROUP IV POLYOLEFIN CATALYSIS DOW GLOBAL TECHNOLOGIES LLC (US) 2025-04-16 EP disclosed
CN-118994022-A Preparation method of 1-methyl-4-phenyl ether derivative and application of non-classical antibacterial activity 中国人民解放军军事科学院军事医学研究院 2024-11-22 CN disclosed
CN-118851911-A Dendrimer gel factor based on C-H/pi interaction and application thereof 常州大学 2024-10-29 CN disclosed
US-20240158542-A1 BIS-PHENOXY-ETHER LIGANDS FOR GROUP IV POLYOLEFIN CATALYSIS DOW GLOBAL TECHNOLOGIES LLC (US) 2024-05-16 US disclosed
EP-1087005-A1 Fluorescent diketopyrrolopyrroles Ciba SC Holding AG (CH) 2001-03-28 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO disclosed
EP-0600952-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME (GB) 1996-04-17 EP disclosed
US-5459270-A Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders MERCK SHARP & DOHME LIMITED (GB) 1995-10-17 US disclosed
EP-0600952-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. MERCK SHARP & DOHME (GB) 1994-06-15 EP disclosed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO disclosed
EP-0528495-A1 Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them MERCK SHARP & DOHME LTD. (GB) 1993-02-24 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-12420270-B2 Molecular sieve SSZ-116, its synthesis and use TERT, SIK1, SSU72 GABRA1 2704/4885GABRB2 3817/4885HMGCR 3528/4885
US-20100035353-A1 PROCESS FOR THE MANUFACTURING OF GLYCOCHIPS HGF, HGFAC, HDGF GABRA1 4405/4885GABRB2 4214/4885HMGCR 808/4885

“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.