SCHEMBL141006

SCHEMBL141006

CC(O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
AOC3 Q16853 1/20 0.47
BRD4 O60885 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FFAR2 O15552 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
LMNA P02545 3/20 0.44
CYP2A6 P11509 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
UGT2B7 P16662 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL3072654 1.00 ADRB2 (0.56) ADRB2AOC3BRD4TSHRMAPK1
SCHEMBL1253041 1.00 ADRB2 (0.56) ADRB2AOC3BRD4TSHRMAPK1
SCHEMBL11308298 0.93 ADRB2 (0.50) ADRB2AOC3BRD4TSHRMAPK1
Alcohol SCHEMBL9488915 0.91 ADRB2 (0.48) ADRB2AOC3BRD4TSHRMAPK1
SCHEMBL4538085 0.89 ADRB2 (0.58) ADRB2AOC3BRD4TSHRMAPK1
Nitrous Acid SCHEMBL2900769 0.89 ADRB2 (0.46) ADRB2AOC3BRD4TSHRMAPK1
SCHEMBL11127234 0.87 ADRB2 (0.45) ADRB2AOC3BRD4TSHRMAPK1
SCHEMBL9331652 0.85 NOS3 (0.54) TSHRHIF1ATDP1NOS3NOS1
SCHEMBL40655 0.85 NOS3 (0.54) TSHRHIF1ATDP1NOS3NOS1
SCHEMBL9331190 0.85 NOS3 (0.54) TSHRHIF1ATDP1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-02-03 US claimed
WO-2025053791-A1 ONE-POT GRAFTING OF POLYMERS FROM ALCOHOLS AND BIOMASSES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO claimed
CN-119591964-A Breathable film containing polystyrene and preparation method thereof 衢州瑞兴新材料有限责任公司 2025-03-11 CN claimed
CN-119491240-A Method for preparing benzyl carboxylic acid compound by taking carbon dioxide as raw material 哈尔滨工业大学(深圳) 2025-02-21 CN claimed
WO-2024177860-A1 IN CHEMICO TEST FOR TOXICITY LEBRUN LABS LLC (US) 2024-08-29 WO claimed
CN-118393009-A Analysis method of tolote Luo Zhong related substances 正大制药(青岛)有限公司 2024-07-26 CN claimed
CN-118165691-A Sublimation-preventing hot melt adhesive 浙江澳宇新材料科技有限公司 2024-06-11 CN claimed
CN-117943084-A Transition metal catalyst, preparation method and method for preparing organic acid by oxidation and pyrolysis of secondary alcohol 中国科学院大连化学物理研究所 2024-04-30 CN claimed
CN-115894273-B Method for catalyzing alcohol C (OH) -C bond cleavage and functionalization by iodine-doped nonmetallic catalyst 常州大学 2024-04-09 CN claimed
CN-114634451-B Method for synthesizing pyrimidine derivative mediated by t-BuOK 南京师范大学 2023-10-24 CN claimed
US-6979829-B2 Devices and methods for determining the amount of energy absorbed during irradiation CLEARANT INC. (US) 2005-12-27 US claimed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US claimed
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP claimed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 WO claimed
US-6613317-B1 In particular northern corn rootworm THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-09-02 US claimed
EP-0449975-B1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1997-04-23 EP claimed
US-5441743-A In thermoplastic or thermosetting binder BATTELLE MEMORIAL INSTITUTE (US) 1995-08-15 US claimed
WO-1990006975-A1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1990-06-28 WO claimed
EP-0122151-B1 PRODUCTION OF PRIMARY OR SECONDARY ALCOHOL DERIVATIVES OF PHOSPHOLIPIDS BY THE ENZYMATIC TECHNIQUE MEITO SANGYO KABUSHIKI KAISHA (JP) 1989-02-15 EP claimed
EP-0251369-A2 Pharmaceutical compositions endowed with sequestering activity for the biliary acids, containing colestyramin as their active principle, and process for preparing them FARKEMO S.r.l. (IT) 1988-01-07 EP 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-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, SNCA ADRB2 303/4885AOC3 477/4885BRD4 1279/4885
US-20050245554-A1 Substituted pyrimidines CNR1, CNR2, GPR119 ADRB2 229/4885AOC3 1075/4885BRD4 587/4885

“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.