SCHEMBL4903871

SCHEMBL4903871

C=CC(=O)c1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
HTT P42858 3/20 0.67
NPSR1 Q6W5P4 3/20 0.67
LMNA P02545 3/20 0.67
PKM P14618 2/20 0.67
ATM Q13315 2/20 0.67
HPGD P15428 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NLRP1 Q9C000 1/20 0.67
NTSR1 P30989 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALDH5A1 P51649 1/20 0.64
ABAT P80404 1/20 0.64
AKT1 P31749 1/20 0.60
THRB P10828 9/20 0.57
MAPT P10636 3/20 0.57
THRA P10827 6/20 0.55
CES2 O00748 1/20 0.54

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
Methylsulfanylmethane SCHEMBL28763705 0.92 ALDH1A1 (0.57) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL13174425 0.88 ALDH1A1 (0.53) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL4256312 0.87 ALDH5A1 (0.80) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL13581568 0.87 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL15458149 0.84 ALDH5A1 (0.61) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL13854054 0.84 ALDH1A1 (0.48) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL8836258 0.81 ALDH5A1 (0.64) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL12240722 0.81 ALDH5A1 (0.64) ALDH1A1LMNAPKMHPGDSMN1; SMN2
SCHEMBL4315033 0.80 ALDH5A1 (0.70) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL10772833 0.80 ALDH5A1 (0.70) ALDH1A1HTTNPSR1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116693-B Method for preparing sofosbuvir by combining 3, 3-diaryl acrolein and Grignard reagent 江苏科本药业有限公司 2021-04-27 CN claimed
CN-111233645-A Method for preparing tri-substituted cyclopentene by MBH/Wittig domino reaction of vinylon insertion 浙江大学 2020-06-05 CN claimed
CN-111116693-A Method for preparing sofosbuvir by combining 3, 3-diaryl acrolein and Grignard reagent 江苏科本药业有限公司 2020-05-08 CN claimed
WO-1997048279-A1 AGENTS WITH ANTIFUNGAL ACTIVITY AND METHODS OF USE THEREOF UNIVERSITY OF ALBERTA (US) 1997-12-24 WO claimed
JP-58072938-A None JP disclosed
EP-3656756-B1 PROCESS FOR THE DIRECT ALPHA-METHYLENATION OF KETONES SPECIALTY OPERATIONS FRANCE (FR) 2025-12-03 EP disclosed
WO-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 WO disclosed
EP-4429763-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS Yewsavin, Inc. (US) 2024-09-18 EP disclosed
CN-117945820-A Method for synthesizing alpha, beta-unsaturated aldehyde compound by copper catalysis 江苏海洋大学 2024-04-30 CN disclosed
CN-117777057-A Synthesis method of chiral gamma-amino alcohol 湖州学院 2024-03-29 CN disclosed
CN-112645863-B Dipyrromethene-1-ketone compound and preparation method thereof 百顺药业有限公司 2023-07-18 CN disclosed
WO-2023086388-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2023-05-19 WO disclosed
CN-86104783-A The method for preparing beta-Lactam antibiotics 1987-02-04 CN disclosed
EP-0073456-B1 TETRAAZAANNULENE COBALT COMPLEX COMPOUNDS AND METHOD FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-27 EP disclosed
JP-S5872938-A POSITIVE TYPE RESIST RESIN FOR FAR ULTRAVIOLET RAYS MITSUBISHI RAYON CO LTD 1983-05-02 JP disclosed
EP-0004624-B1 CHROMANON DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICINES AND GROWTH-PROMOTING AGENTS BAYER AG (DE) 1982-02-24 EP disclosed
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
US-4013620-A OXIDATION RESISTANCE AMERICAN CYANAMID COMPANY (US) 1977-03-22 US disclosed
US-3936473-A COPPER OR NOBLE METAL SALT, OXYGEN AND ORGANIC ACID CATALYST UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-02-03 US disclosed
US-3932573-A Process for producing glass fiber reinforced injection molding compounds ETHYL CORPORATION (US) 1976-01-13 US disclosed