SCHEMBL106765

SCHEMBL106765

BrC(COCC(Br)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
TSHR P16473 2/20 0.42
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 1/20 0.40
SLC18A2 Q05940 1/20 0.39
ANPEP P15144 1/20 0.39
CYP2D6 P10635 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TACR1 P25103 1/20 0.39
SRR Q9GZT4 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7252952 0.83 EPHX1 (0.55) EPHX1TSHRTAAR1SLC6A2SIGMAR1
Hydrogen Sulfide SCHEMBL9623454 0.80 EPHX1 (0.52) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL453959 0.78 EPHX1 (0.41) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL6682496 0.76 EPHX1 (0.48) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL2581115 0.75 EPHX1 (0.39) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL11691827 0.75 ALDH1A1 (0.55) CYP1A2ALDH1A1SRRNPC1RAB9A
SCHEMBL12708159 0.74 TRPA1 (0.54) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL1552921 0.74 TRPA1 (0.54) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL10457665 0.74 EPHX1 (0.46) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL1975377 0.74 TRPA1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118777449-B Method for separating and detecting related substances in benzyl-2-bromoethyl ether serving as starting material of ubenimex based on gas chromatography and liquid chromatography 山东泰合医药科技有限公司 2025-01-10 CN claimed
CN-118777449-A Method for separating and detecting related substances in benzyl-2-bromoethyl ether serving as starting material of ubenimex based on gas chromatography and liquid chromatography 山东泰合医药科技有限公司 2024-10-15 CN claimed
CN-115925588-A Preparation method of aliphatic sulfinic acid sodium salt 诚达药业股份有限公司 2023-04-07 CN claimed
CN-114736201-B Preparation method of umeclidinium bromide intermediate 奥锐特药业(天津)有限公司 2022-09-02 CN claimed
CN-114736201-A Preparation method of umeclidinium bromide intermediate 奥锐特药业(天津)有限公司 2022-07-12 CN claimed
US-12466821-B2 Antiviral pyridopyrazinedione compounds NOVARTIS AG (CH) 2025-11-11 US disclosed
CN-119841765-A DNJ derivative, pharmaceutical composition and application thereof 中南大学 2025-04-18 CN disclosed
US-12246014-B2 Azetidine derivatives LIGAND UK DEVELOPMENT LIMITED (GB) 2025-03-11 US disclosed
CN-119371430-A Camptothecins small molecule and antibody drug conjugate, preparation method and application thereof 上海医药集团股份有限公司 2025-01-28 CN disclosed
CN-118777449-B Method for separating and detecting related substances in benzyl-2-bromoethyl ether serving as starting material of ubenimex based on gas chromatography and liquid chromatography 山东泰合医药科技有限公司 2025-01-10 CN disclosed
CN-118777449-B Method for separating and detecting related substances in benzyl-2-bromoethyl ether serving as starting material of ubenimex based on gas chromatography and liquid chromatography 山东泰合医药科技有限公司 2025-01-10 CN disclosed
CN-118777449-B Method for separating and detecting related substances in benzyl-2-bromoethyl ether serving as starting material of ubenimex based on gas chromatography and liquid chromatography 山东泰合医药科技有限公司 2025-01-10 CN disclosed
US-6573378-B1 9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine having a purity of greater than 95% by weight or it's sodium salt NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2003-06-03 US disclosed
EP-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 WO disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed
US-5075445-A GUANINE DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1991-12-24 US disclosed
EP-0141927-B1 ANTIVIRAL GUANINE DERIVATIVES BEECHAM GROUP PLC (GB) 1991-10-30 EP disclosed
EP-0141927-A2 Antiviral guanine derivatives BEECHAM GROUP PLC (GB) 1985-05-22 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-12246014-B2 Azetidine derivatives FAAH2, FAAH, APEH EPHX1 233/4885TSHR 2185/4885TAAR1 255/4885
US-12466821-B2 Antiviral pyridopyrazinedione compounds ZC3HAV1, IL5, TYMP EPHX1 1903/4885TSHR 4291/4885TAAR1 3404/4885

“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.