SCHEMBL29601593

SCHEMBL29601593

CC(C)COC(=O)c1ccccc1C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.86
TSHR P16473 5/20 0.86
KDM4E B2RXH2 1/20 0.55
MAPT P10636 2/20 0.54
TP53 P04637 2/20 0.54
MEN1 O00255 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 1/20 0.50
CA2 P00918 1/20 0.50
PRSS1 P07477 1/20 0.48

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
Phthalic Acid SCHEMBL29285130 1.00 ALDH1A1 (0.86) ALDH1A1TSHRKDM4EMAPTTP53
Phthalic Acid SCHEMBL27873885 1.00 ALDH1A1 (0.86) ALDH1A1TSHRKDM4EMAPTTP53
Phthalic Acid SCHEMBL19667985 1.00 ALDH1A1 (0.86) ALDH1A1TSHRKDM4EMAPTTP53
Phthalic Acid SCHEMBL29007201 1.00 ALDH1A1 (0.86) ALDH1A1TSHRKDM4EMAPTTP53
SCHEMBL226501 1.00 ALDH1A1 (0.86) ALDH1A1TSHRKDM4EMAPTTP53
Acetic Acid SCHEMBL28523091 0.97 ALDH1A1 (0.80) ALDH1A1TSHRKDM4EMAPTTP53
SCHEMBL42787 0.93 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EMAPTTP53
SCHEMBL8144263 0.93 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EMAPTTP53
SCHEMBL29387332 0.93 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EMAPTTP53
Acetic Acid SCHEMBL28172110 0.91 ALDH1A1 (0.89) ALDH1A1TSHRKDM4EMAPTTP53

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117849248-B Preparation method of phthalate plasticizer metabolic substance control sample suitable for urine of people in China 中国疾病预防控制中心环境与健康相关产品安全所 2025-02-25 CN claimed
US-20240159775-A1 WASTEWATER-BASED EPIDEMIOLOGY METHODS FOR ASSESSING POPULATION HEALTH ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2024-05-16 US claimed
CN-117849248-A Preparation method of phthalate plasticizer metabolic substance control sample based on real urine of common people 中国疾病预防控制中心环境与健康相关产品安全所 2024-04-09 CN claimed
CN-115201384-B Method for evaluating and detecting exposure risk of multiple pollutants in hair of large-scale crowd 生态环境部华南环境科学研究所(生态环境部生态环境应急研究所) 2022-12-06 CN claimed
CN-115201384-A Method for evaluating and detecting exposure risk of multiple pollutants in hair of large-scale crowd 生态环境部华南环境科学研究所(生态环境部生态环境应急研究所) 2022-10-18 CN claimed
CN-120026003-A Bacillus subtilis-derived phthalate degradation esterase Est909, encoding gene and application thereof 北京工商大学 2025-05-23 CN disclosed
CN-120028471-A Method for synchronously extracting and detecting 59 endocrine disruptors in amniotic fluid 天津大学温州安全(应急)研究院 2025-05-23 CN disclosed
CN-117849248-B Preparation method of phthalate plasticizer metabolic substance control sample suitable for urine of people in China 中国疾病预防控制中心环境与健康相关产品安全所 2025-02-25 CN disclosed
US-20240159775-A1 WASTEWATER-BASED EPIDEMIOLOGY METHODS FOR ASSESSING POPULATION HEALTH ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2024-05-16 US disclosed
CN-117849248-A Preparation method of phthalate plasticizer metabolic substance control sample based on real urine of common people 中国疾病预防控制中心环境与健康相关产品安全所 2024-04-09 CN disclosed
CN-117447661-A Cationic covalent organic framework and preparation and application thereof 柳州工学院 2024-01-26 CN disclosed
CN-116973479-A Method for measuring 18 phthalic acid monoesters in urine by liquid chromatography-tandem mass spectrometry 中国测试技术研究院 2023-10-31 CN disclosed
CN-114894951-B Method for online determination of phthalate metabolite content in hair or nails and application thereof 广东工业大学 2023-07-11 CN disclosed
CN-114609284-B Screening and verifying method of occupational composite pollution exposure biomarker based on human urine 广东工业大学 2023-06-02 CN disclosed
CN-115201384-B Method for evaluating and detecting exposure risk of multiple pollutants in hair of large-scale crowd 生态环境部华南环境科学研究所(生态环境部生态环境应急研究所) 2022-12-06 CN disclosed
CN-115201384-A Method for evaluating and detecting exposure risk of multiple pollutants in hair of large-scale crowd 生态环境部华南环境科学研究所(生态环境部生态环境应急研究所) 2022-10-18 CN disclosed
CN-112986416-B Multi-component large-flux detection method for plastic additive in atmospheric particulates 暨南大学 2022-09-30 CN disclosed
CN-114894951-A Method for on-line determination of phthalate metabolite content in hair or nails and application 广东工业大学 2022-08-12 CN disclosed
CN-114609284-A Screening and verifying method of occupational combined pollution exposure biomarker based on human urine 广东工业大学 2022-06-10 CN disclosed