SCHEMBL127737

SCHEMBL127737

CCc1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
PLK1 P53350 1/20 0.47
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KIF11 P52732 2/20 0.43
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC13A5 Q86YT5 2/20 0.40
MEN1 O00255 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL23512613 0.94 HRH3 (0.50) ALDH1A1PLK1HPGDSMN1; SMN2HRH3
SCHEMBL3497043 0.84 MAPT (0.52) ALDH1A1HRH3KMT2AMAPT
SCHEMBL28351374 0.83 PLK1 (0.47) ALDH1A1PLK1HPGDSMN1; SMN2KIF11
SCHEMBL55105 0.83 PPARA (0.55) HRH3KIF11KMT2AMAPTSLC13A5
SCHEMBL28806244 0.82 ESR1 (0.52) ALDH1A1HPGDSMN1; SMN2HRH3KMT2A
SCHEMBL7182175 0.82 RXRA (0.54) ALDH1A1HPGDRXRARXRB
SCHEMBL28175080 0.82 MAPT (0.59) ALDH1A1PLK1HPGDSMN1; SMN2KIF11
SCHEMBL127736 0.82 HRH3 (0.43) HRH3KMT2AMAPTSLC13A5
SCHEMBL479996 0.82 CES2 (0.46) ALDH1A1HRH3KMT2AMAPTSLC13A5
SCHEMBL10975329 0.82 CA1 (0.44) HRH3KMT2AMAPTSLC13A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047829-B Synthesis method of alcaine intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid 成都艾必克医药科技有限公司 2023-05-26 CN claimed
CN-109438218-B Synthesis method of hydrochloric acid neritinib intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid 成都艾必克医药科技有限公司 2021-04-09 CN claimed
CN-112047829-A Synthetic method of hydrochloric acid Alininib intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid 成都艾必克医药科技有限公司 2020-12-08 CN claimed
CN-109438218-A A kind of hydrochloric acid Ai Le replaces the synthetic method of Buddhist nun's intermediate 2- (4- ethyl -3- iodophenyl) -2 Methylpropionic acid 成都艾必克医药科技有限公司 2019-03-08 CN claimed
US-20250154135-A1 M-CHOLINE RECEPTOR AGONIST COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF NANJING GRITPHARMA CO., LTD. (CN) 2025-05-15 US disclosed
CN-119707874-A Synthesis method of aletinib intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid 重庆博腾制药科技股份有限公司 2025-03-28 CN disclosed
EP-4471024-A1 M-CHOLINE RECEPTOR AGONIST COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Nanjing Gritpharma Co., Ltd. (CN) 2024-12-04 EP disclosed
CN-118679159-A M-choline receptor agonist compound and preparation method and application thereof 南京济群医药科技股份有限公司 2024-09-20 CN disclosed
WO-2023143575-A1 M-CHOLINE RECEPTOR AGONIST COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 南京济群医药科技股份有限公司 2023-08-03 WO disclosed
CN-112047829-B Synthesis method of alcaine intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid 成都艾必克医药科技有限公司 2023-05-26 CN disclosed
CN-112047829-B Synthesis method of alcaine intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid 成都艾必克医药科技有限公司 2023-05-26 CN disclosed
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20110028499-A1 PHARMACEUTICAL COMBINATION COMPRISING VITAMIN K SHIONOGI & CO., LTD. (JP) 2011-02-03 US disclosed
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed
WO-2010112865-A1 5-HT RECEPTOR MODULATING COMPOUNDS SERODUS AS (NO) 2010-10-07 WO disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885PLK1 919/4885HPGD 4633/4885
US-20110028499-A1 PHARMACEUTICAL COMBINATION COMPRISING VITAMIN K PPARD, PROC, VDR ALDH1A1 2371/4885PLK1 1741/4885HPGD 446/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885PLK1 919/4885HPGD 4633/4885
US-20250154135-A1 M-CHOLINE RECEPTOR AGONIST COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF CHRNA7, CHRNA1, CHRNE ALDH1A1 1811/4885PLK1 2006/4885HPGD 1881/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ALDH1A1 580/4885PLK1 4083/4885HPGD 450/4885

“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.