SCHEMBL777870

SCHEMBL777870

CC(=O)OC(Br)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.44
PABPC1 P11940 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 1/20 0.43
CYP19A1 P11511 3/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28910633 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4CES2CES1HSD17B10
SCHEMBL4595078 0.81 HPGD (0.44) ALDH1A1CYP3A4CES2CES1HSD17B10
SCHEMBL6702874 0.81 CES2 (0.50) ALDH1A1CYP3A4CES2CES1KMT2A
SCHEMBL10583878 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4CES2CES1HSD17B10
SCHEMBL27654146 0.80 CYP19A1 (0.41) ALDH1A1CYP3A4CYP19A1LMNA
SCHEMBL28068764 0.80 KMT2A (0.46) ALDH1A1CYP3A4CES2CES1KMT2A
SCHEMBL27493692 0.80 BRD4 (0.48) ALDH1A1CYP3A4KMT2ACYP2D6LMNA
SCHEMBL6176782 0.79 CES2 (0.48) ALDH1A1CYP3A4CES2CES1KMT2A
SCHEMBL114464 0.79 CYP2D6 (0.48) CES2CES1KMT2ACYP2D6SRC
SCHEMBL31650785 0.79 CES2 (0.44) ALDH1A1CYP3A4CES2CES1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117844320-A Corrosion-resistant heat-insulating coating for integrally assembled self-supporting steel chimney and preparation method thereof 希斯芮烟囱科技(连云港)有限公司 2024-04-09 CN claimed
CN-112010914-B Glucosamine modified pentacyclic piperazine dione and preparation and application thereof 首都医科大学 2023-06-27 CN claimed
US-20250376443-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-12-11 US disclosed
US-20250368604-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-12-04 US disclosed
CN-120349255-A Synthesis method of (3-chlorophenyl ethyl) glycine benzyl ester 吉尔多肽生物制药(大连市)有限公司 2025-07-22 CN disclosed
US-20250129020-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-04-24 US disclosed
CN-119350433-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2025-01-24 CN disclosed
US-12195427-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2025-01-14 US disclosed
CN-112867706-B MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-11-15 CN disclosed
US-12116382-B2 Functionalized N-acetylgalactosamine analogs HONGENE BIOTECH CORPORATION (US) 2024-10-15 US disclosed
US-20240252693-A1 FOLATE RECEPTOR-TARGETED RADIOTHERAPEUTIC AGENTS AND THEIR USE NOVARTIS PHARMACEUTICALS CORPORATION 2024-08-01 US disclosed
EP-0267668-B1 TRI- OR TETRA-2-HYDROXYBENZYL-1,2-DIAMINOALKANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR EXTRACTION OF GALLIUM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-10 EP disclosed
US-5189033-A Analgesics, antiiflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5183940-A For efficient extraction of gallium from basic solutions containing aluminates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-02 US disclosed
WO-1992022564-A1 IMMUNOSUPPRESSIVE AND TOLEROGENIC MODIFIED LEWISX AND LEWISA COMPOUNDS ALBERTA RESEARCH COUNCIL (CA) 1992-12-23 WO disclosed
EP-0480641-A1 Tricyclic heterocycles ZENECA LIMITED (GB) 1992-04-15 EP disclosed
EP-0267668-A2 Tri- or tetra-2-hydroxybenzyl-1,2-diaminoalkane derivatives, process for their preparation and their use for extraction of gallium IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-18 EP disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-3983245-A CORONARY VASODILATORS SMITHKLINE CORPORATION (US) 1976-09-28 US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 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 (6 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-12116382-B2 Functionalized N-acetylgalactosamine analogs FUT6, CSGALNACT1, GALNT6 ALDH1A1 1722/4885CYP3A4 4749/4885CES2 1344/4885
US-20250368604-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4701/4885CYP3A4 4677/4885CES2 508/4885
US-12195427-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ALDH1A1 4701/4885CYP3A4 4677/4885CES2 508/4885
US-20250376443-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4718/4885CYP3A4 4700/4885CES2 550/4885
US-20240252693-A1 FOLATE RECEPTOR-TARGETED RADIOTHERAPEUTIC AGENTS AND THEIR USE FOLR1, FOLR2, FOLH1 ALDH1A1 1704/4885CYP3A4 3972/4885CES2 1936/4885
US-20250129020-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4701/4885CYP3A4 4677/4885CES2 508/4885

“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.