SCHEMBL508016

SCHEMBL508016

CC(O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
UGT2B7 P16662 1/20 0.47
ACHE P22303 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
MTOR P42345 1/20 0.42
AOC3 Q16853 1/20 0.42

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
SCHEMBL213645 1.00 CES2 (0.52) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL14088061 1.00 CES2 (0.52) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL1318224 1.00 CES2 (0.52) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL9667227 0.84 CES2 (0.50) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL2812852 0.83 UGT2B7 (0.56) HDAC4MEN1KMT2AUGT2B7
SCHEMBL9331659 0.83 UGT2B7 (0.56) HDAC4MEN1KMT2AUGT2B7
SCHEMBL9331663 0.83 UGT2B7 (0.56) HDAC4MEN1KMT2AUGT2B7
SCHEMBL9334664 0.83 UGT2B7 (0.56) HDAC4MEN1KMT2AUGT2B7
SCHEMBL15050759 0.83 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL15050756 0.83 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5

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 141 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
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2023-01-26 US claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-4868344-A OPTICALLY PURE HALOALCOHOLS ALDRICH-BORANES, INC. (US) 1989-09-19 US claimed
EP-4676481-A1 COMBINATION OF BETA-2-ADRENERGIC RECEPTOR AGONISTS AND GLP-1 RECEPTOR AGONISTS FOR USE IN TREATING HYPERGLYCAEMIA Atrogi AB (SE) 2026-01-14 EP disclosed
EP-4665321-A1 COMBINATIONS OF BETA 2-ADRENERGIC RECEPTOR AGONISTS AND METFORMIN FOR USE IN TREATING OBESITY AND REDUCING BODY FAT Atrogi AB (SE) 2025-12-24 EP disclosed
EP-4651867-A1 BETA 2-ADRENERGIC RECEPTOR AGONISTS FOR TREATMENT OR PREVENTION OF MUSCLE WASTING Atrogi AB (SE) 2025-11-26 EP disclosed
CN-119977739-A Method for preparing nitrile compound by oxidizing alcohol compound to break C-C bond 中国科学院大连化学物理研究所 2025-05-13 CN disclosed
US-20240343695-A1 Lysophosphatidic Acid Receptor 1 Antagonists as Migrastatics for Cancer LAKEHEAD UNIVERSITY (CA) 2024-10-17 US disclosed
EP-4444707-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2024-10-16 EP disclosed
US-20240317709-A1 Lysophosphatidic Acid Receptor Antagonists for Breast Cancer Treatment UNIV LAKEHEAD (CA) 2024-09-26 US disclosed
WO-2024184408-A1 COMBINATION OF BETA-2-ADRENERGIC RECEPTOR AGONISTS AND GLP-1 RECEPTOR AGONISTS FOR USE IN TREATING HYPERGLYCAEMIA ATROGI AB (SE) 2024-09-12 WO disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 WO disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO 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-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, SNCA CES2 2482/4885CES1 2450/4885HDAC4 3257/4885
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 CES2 1432/4885CES1 996/4885HDAC4 1378/4885
US-20240317709-A1 Lysophosphatidic Acid Receptor Antagonists for Breast Cancer Treatment LPAR3, LPAR1, LPAR4 CES2 3623/4885CES1 1022/4885HDAC4 856/4885
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 CES2 3697/4885CES1 4421/4885HDAC4 3224/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 CES2 293/4885CES1 244/4885HDAC4 1650/4885
US-20240343695-A1 Lysophosphatidic Acid Receptor 1 Antagonists as Migrastatics for Cancer LPAR1, LPAR3, LPAR4 CES2 3304/4885CES1 835/4885HDAC4 904/4885

“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.