SCHEMBL4662825

SCHEMBL4662825

C=CCOC(=O)CCCBr

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
ALDH1A1 P00352 6/20 0.53
GAA P10253 1/20 0.53
EPHX2 P34913 1/20 0.46
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 2/20 0.33
DGKA P23743 1/20 0.33
CYP1A2 P05177 1/20 0.33
CASP1 P29466 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 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
SCHEMBL8637315 0.94 TSHR (0.67) TSHRALDH1A1GAAEPHX2PKM
SCHEMBL7782013 0.92 TSHR (0.70) TSHRALDH1A1GAAEPHX2PKM
SCHEMBL7573260 0.92 TSHR (0.70) TSHRALDH1A1GAAEPHX2PKM
SCHEMBL11667209 0.92 TSHR (0.70) TSHRALDH1A1GAAEPHX2PKM
SCHEMBL6536159 0.92 TSHR (0.70) TSHRALDH1A1GAAEPHX2PKM
SCHEMBL9453921 0.92 TSHR (0.70) TSHRALDH1A1GAAEPHX2PKM
SCHEMBL253070 0.89
SCHEMBL153651 0.89 TSHR (0.77) TSHRALDH1A1GAAEPHX2PKM
SCHEMBL463195 0.89 TSHR (0.70) TSHRALDH1A1GAAEPHX2PKM
SCHEMBL10834721 0.86 TSHR (0.81) TSHRALDH1A1GAAEPHX2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023120450-A1 METHOD FOR PRODUCING ANTHRAQUINONES 三菱重工業株式会社 2023-06-29 WO claimed
US-20260116922-A1 HIGHLY STABLE OXYTOCIN DERIVATIVES UNIVERSITAET WIEN (AT) 2026-04-30 US disclosed
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
US-20250213700-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CELL-SPECIFIC PHARMACOLOGY FOX CHASE CHEMICAL DIVERSITY CENTER, INC. 2025-07-03 US disclosed
CN-118878461-A PD-1/PD-L1 inhibitors 吉利德科学公司 2024-11-01 CN disclosed
EP-4453003-A1 HIGHLY STABLE OXYTOCIN DERIVATIVES Universität Wien (AT) 2024-10-30 EP disclosed
WO-2023225369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CELL-SPECIFIC PHARMACOLOGY DUKE UNIVERSITY (US) 2023-11-23 WO disclosed
WO-2023225369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CELL-SPECIFIC PHARMACOLOGY DUKE UNIVERSITY (US) 2023-11-23 WO disclosed
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 US disclosed
WO-2023120450-A1 METHOD FOR PRODUCING ANTHRAQUINONES 三菱重工業株式会社 2023-06-29 WO disclosed
EP-1747207-A1 FLUORESCENT METHOD AND COMPOUNDS TO MONITOR PROTEIN-LIPID BINDING EUROPÄISCHES LABORATORIUM FÜR MOLEKULARBIOLOGIE (EMBL) (DE) 2007-01-31 EP disclosed
WO-2005113524-A1 FLUORESCENT METHOD AND COMPOUNDS TO MONITOR PROTEIN-LIPID BINDING Europäisches Laboratorium für Molekularbiologie (EMBL) (DE) 2005-12-01 WO disclosed
US-20020042055-A1 Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions MAXYGEN, INC. 2002-04-11 US disclosed
WO-2001046476-A1 ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS MAXYGEN, INC. (US) 2001-06-28 WO disclosed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed
US-5550215-A FORMING POLYMER ON SUBSTRATE WITH A TETHER MOLECULE; CYCLIZATION; DEPROTECTING; DECYCLIZATION AFFYMETRIX, INC. 1996-08-27 US disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO disclosed
WO-1993010161-A1 POLYMER REVERSAL ON SOLID SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1993-05-27 WO disclosed
US-4857520-A Fused azepinone and azocinone derivatives, processes for their preparation, agents containing them and their use, and intermediates in their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-15 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 (4 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-20250213700-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CELL-SPECIFIC PHARMACOLOGY DDT, ABCG2, CES2 TSHR 2895/4885ALDH1A1 179/4885GAA 266/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 TSHR 54/4885ALDH1A1 409/4885GAA 3510/4885
US-20260116922-A1 HIGHLY STABLE OXYTOCIN DERIVATIVES OXTR, CRH, TRHR TSHR 32/4885ALDH1A1 3804/4885GAA 4595/4885
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF BCR, PDCD1LG2, PRLHR TSHR 862/4885ALDH1A1 1636/4885GAA 3029/4885

“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.