SCHEMBL1703446

SCHEMBL1703446

CCOC(=O)CCCCCCCCCBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 3/20 0.56
TRPA1 O75762 1/20 0.56
DGKA P23743 1/20 0.54
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 2/20 0.52
PAM P19021 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
USP2 O75604 1/20 0.47
KMT2A Q03164 2/20 0.47
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL31049888 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL52706 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL31049893 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL31049856 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL318062 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL1005765 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL24597734 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL3862786 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL47126 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL31049851 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619922-A Hydroxamic acid compound, and preparation method and application thereof 郑州大学 2024-09-10 CN claimed
CN-118221674-A Pyrrolo [3,2-b ] pyridine Top/HDAC double-target inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-06-21 CN claimed
CN-115850618-A Dynamic cross-linked azobenzene liquid crystal elastomer with linear/star SBS block copolymer as main chain and preparation method thereof 大连理工大学 2023-03-28 CN claimed
US-6175024-B1 FUNCTIONALIZING A CARBOXYLIC ACID OR ESTER HAVING A VINYL GROUP BY OZONOLYSIS OF THE VINYL GROUP, REDUCING OZONIDE AND FUNCTIONALIZING TO FORM A HALIDE, SULFONATE, ETHER, HYDROXYL, AMINE OR ALDEHYDE; ETHYL 10-BROMO-DECANOATE FOR EXAMPLE ALLIEDSIGNAL INC. 2001-01-16 US claimed
WO-2000051960-A1 SYNTHESIS OF FUNCTIONALIZED ESTERS HONEYWELL INTERNATIONAL INC. (US) 2000-09-08 WO claimed
US-20250361250-A1 FLUORINE-CONTAINING SILANE COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2025-11-27 US disclosed
CN-120040359-A Azole selenourea carboxylate and preparation method and application thereof 华南农业大学 2025-05-27 CN disclosed
EP-4269396-B1 COMPOUND, CORROSION INHIBITOR, AND LUBRICANT COMPOSITION IDEMITSU KOSAN CO (JP) 2025-05-14 EP disclosed
US-20250145607-A1 Modulators of CAMKK2 as Ligand Directed Degraders CELGENE CORPORATION (US) 2025-05-08 US disclosed
CN-118619922-A Hydroxamic acid compound, and preparation method and application thereof 郑州大学 2024-09-10 CN disclosed
WO-2024172034-A1 FLUORINE-CONTAINING SILANE COMPOUND ダイキン工業株式会社 2024-08-22 WO disclosed
US-12065605-B2 Liquid crystal composition, dichroic material, light absorption anisotropic film, laminate, and image display device FUJIFILM CORPORATION (JP) 2024-08-20 US disclosed
WO-2002020466-A1 CYANOPHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2002-03-14 WO disclosed
US-20020013497-A1 Method of preparing alkylated salicylamides EMISPHERE TECHNOLOGIES, INC. 2002-01-31 US disclosed
EP-1149066-A1 METHOD OF PREPARING ALKYLATED SALICYLAMIDES Emisphere Technologies, Inc. (US) 2001-10-31 EP disclosed
WO-2001070219-A1 METHOD OF PREPARING ALKYLATED SALICYLAMIDES VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECHNOLOGIES, INC. (US) 2001-09-27 WO disclosed
US-6175024-B1 FUNCTIONALIZING A CARBOXYLIC ACID OR ESTER HAVING A VINYL GROUP BY OZONOLYSIS OF THE VINYL GROUP, REDUCING OZONIDE AND FUNCTIONALIZING TO FORM A HALIDE, SULFONATE, ETHER, HYDROXYL, AMINE OR ALDEHYDE; ETHYL 10-BROMO-DECANOATE FOR EXAMPLE ALLIEDSIGNAL INC. 2001-01-16 US disclosed
WO-2000051960-A1 SYNTHESIS OF FUNCTIONALIZED ESTERS HONEYWELL INTERNATIONAL INC. (US) 2000-09-08 WO disclosed
WO-2000046182-A1 METHOD OF PREPARING ALKYLATED SALICYLAMIDES EMISPHERE TECHNOLOGIES, INC. (US) 2000-08-10 WO disclosed
US-5057524-A Asthma, dermatitis A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 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 (3 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-20250145607-A1 Modulators of CAMKK2 as Ligand Directed Degraders CAMKK2, CAMKK1, CAMK1D CYP1A2 462/4885ALDH1A1 1846/4885TRPA1 3960/4885
US-20020013497-A1 Method of preparing alkylated salicylamides SI, ADSL, UNG CYP1A2 210/4885ALDH1A1 525/4885TRPA1 3017/4885
US-20250361250-A1 FLUORINE-CONTAINING SILANE COMPOUND FLI1, AFF1, RFT1 CYP1A2 428/4885ALDH1A1 879/4885TRPA1 3963/4885

“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.