SCHEMBL234580

SCHEMBL234580

O=C(O)C(Br)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.76
CES1 P23141 3/20 0.76
SRC P12931 2/20 0.59
CYP2D6 P10635 1/20 0.59
LMNA P02545 3/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL604040 1.00 CES2 (0.76) CES2CES1SRCCYP2D6LMNA
Benzene SCHEMBL28201061 1.00 CES2 (0.76) CES2CES1SRCCYP2D6LMNA
SCHEMBL5899350 1.00 CES2 (0.76) CES2CES1SRCCYP2D6LMNA
Ammonia Solution, Strong SCHEMBL38660268 0.97 CES2 (0.73) CES2CES1SRCCYP2D6LMNA
Hydrochloric Acid SCHEMBL7037834 0.97 CES2 (0.73) CES2CES1SRCCYP2D6LMNA
Methane SCHEMBL6115781 0.97 CES2 (0.73) CES2CES1SRCCYP2D6LMNA
Alcohol SCHEMBL29064519 0.89 CES2 (0.61) CES2CES1SRCCYP2D6LMNA
SCHEMBL5820145 0.86 CES2 (0.73) CES2CES1SRCCYP2D6LMNA
SCHEMBL7437238 0.85 PTGS2 (0.61) CES2CES1SRCCYP2D6CYP1A2
SCHEMBL4973413 0.84 CES2 (0.77) CES2CES1SRCCYP2D6LMNA

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 1814 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108905-B Method for producing (Z) -trifluoromethaneenol ester by copper-catalyzed regioselective olefination and trifluoromethylation of carboxylic acid 湖南大学 2025-04-08 CN claimed
CN-119751768-A Functionalized polyolefin-based nanoparticle as well as preparation method and application thereof 复旦大学 2025-04-04 CN claimed
CN-114702630-B Lignin-based polymer and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2024-07-12 CN claimed
CN-117820116-B Method for synthesizing alpha-bromophenylacetic acid ethyl ester serving as intermediate of phenthoate by solvent-free method 江苏腾龙生物药业有限公司 2024-07-05 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-114752005-B Novel method for recycling organic photocatalyst in polymerization reaction 中国药科大学 2024-04-09 CN claimed
CN-117816969-A Silver nanoparticle solution, preparation method and application thereof 浙江工业大学 2024-04-05 CN claimed
CN-117820116-A Method for synthesizing alpha-bromophenylacetic acid ethyl ester serving as intermediate of phenthoate by solvent-free method 江苏腾龙生物药业有限公司 2024-04-05 CN claimed
CN-117777856-A Photocurable release agent and low-roughness high-uniformity MLCC release film 扬州万润光电科技股份有限公司 2024-03-29 CN claimed
CN-116789875-B Preparation method of polymethyl methacrylate with controllable molecular weight and narrow distribution 广东深展实业有限公司 2024-03-29 CN claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
WO-2003011917-A1 METHOD OF CURING ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-02-13 WO claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US claimed
US-5137981-A Heat resistant rubber; esterification butadiene polymer using halogenated carboxy compound BRIDGESTONE CORPORATION (JP) 1992-08-11 US claimed
EP-0328291-B1 HALOGENATED POLYBUTADIENE SERIES ELASTOMERS, METHOD OF PRODUCING THE SAME, AND RUBBER COMPOSITIONS FOR TIRES CONTAINING THE ELASTOMER Bridgestone Corporation (JP) 1992-04-29 EP claimed
EP-0328291-A1 Halogenated polybutadiene series elastomers, method of producing the same, and rubber compositions for tires containing the elastomer Bridgestone Corporation (JP) 1989-08-16 EP claimed
EP-0055248-A1 Acetic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-06-30 EP claimed
US-3941814-A Process for obtaining D(-)-and L(+)-α-azidophenylacetic acid DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1976-03-02 US claimed

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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 CES2 1598/4885CES1 3489/4885SRC 2549/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 CES2 2351/4885CES1 3786/4885SRC 912/4885

“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.