SCHEMBL625219

SCHEMBL625219

CC(O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP3A4 P08684 6/20 0.47
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ACHE P22303 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KCNH2 Q12809 6/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 4/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38

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
SCHEMBL342468 1.00 CES2 (0.48) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL213828 1.00 CES2 (0.48) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL14088059 1.00 CES2 (0.48) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL29609066 1.00 CES2 (0.48) CES2CES1CYP3A4GABRA1GABRB2
Phthalic Acid SCHEMBL3628213 0.84 CES2 (0.54) CES2CES1CYP3A4MEN1KMT2A
Phthalic Acid SCHEMBL3628215 0.84 CES2 (0.54) CES2CES1CYP3A4MEN1KMT2A
SCHEMBL9667214 0.83 PDE2A (0.50) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL11602791 0.81 CES2 (0.54) CES2CES1CYP3A4ACHEIDO1
SCHEMBL23363630 0.81 CES2 (0.52) CES2CES1CYP3A4GABRA1GABRB2
SCHEMBL5684729 0.81 CES2 (0.46) CES2CES1CYP3A4GABRA1GABRB2

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 193 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
CN-117964954-A Wear-resistant carbon fiber reinforced tire material and preparation method thereof 山东盛海橡胶有限公司 2024-05-03 CN 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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
US-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2025-03-27 US disclosed
CN-119212989-A Pyrazole derivatives as STING agonists 豪夫迈·罗氏有限公司 2024-12-27 CN disclosed
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2024-11-12 US disclosed
US-20240317709-A1 Lysophosphatidic Acid Receptor Antagonists for Breast Cancer Treatment UNIV LAKEHEAD (CA) 2024-09-26 US disclosed
CN-114901646-B Benzotriazine bisoxides and pharmaceutical compositions thereof 浙江瑞臻医药有限公司 2024-06-04 CN disclosed
CN-117964954-A Wear-resistant carbon fiber reinforced tire material and preparation method thereof 山东盛海橡胶有限公司 2024-05-03 CN disclosed
EP-4330260-A1 FUROINDAZOLE DERIVATIVES AS ANTAGONISTS OR INHIBITORS OF GPR84 Bayer Aktiengesellschaft (DE) 2024-03-06 EP disclosed
US-5296484-A Applying fungicide to locus of plant pathogen DOWELANCO (US) 1994-03-22 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed
EP-0326328-A2 Quinoline, quinazoline, and cinnoline derivatives DowElanco (US) 1989-08-02 EP disclosed
EP-0093010-B1 ALPHA-HYDROXYETHYLPHOSPHINATES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-11 EP disclosed
US-4554111-A α-Hydroxyethylphosphinates, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-11-19 US disclosed
US-4544652-A α-Hydroxyethylphosphinates, and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-01 US disclosed
EP-0093010-A2 Alpha-hydroxyethylphosphinates, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-02 EP 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 (5 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-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 CES2 4155/4885CES1 4010/4885CYP3A4 13/4885
US-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, SNCA CES2 2482/4885CES1 2450/4885CYP3A4 4415/4885
US-20240317709-A1 Lysophosphatidic Acid Receptor Antagonists for Breast Cancer Treatment LPAR3, LPAR1, LPAR4 CES2 3623/4885CES1 1022/4885CYP3A4 4357/4885
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents ERG28, DPM1, CYP51A1 CES2 4155/4885CES1 4010/4885CYP3A4 13/4885
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 CES2 3697/4885CES1 4421/4885CYP3A4 4236/4885

“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.