SCHEMBL897783

SCHEMBL897783

CCc1ccc(C(C)(C)C(=O)O)cc1I

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
LTB4R Q15722 5/20 0.36
LTB4R2 Q9NPC1 5/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
SGK1 O00141 1/20 0.33

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
SCHEMBL29660078 1.00 APP (0.41) APPAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL17434660 0.84 ESR1 (0.34) ESR1ESR2CYP3A4ALDH1A1
SCHEMBL29962699 0.84 ESR1 (0.34) ESR1ESR2CYP3A4ALDH1A1
SCHEMBL8848023 0.84 APP (0.44) APPAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL20004834 0.82 EPHX2 (0.43) APPAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL23629562 0.82 CNR2 (0.47) ESR1ESR2ALDH1A1
SCHEMBL30880291 0.82 CNR2 (0.47) ESR1ESR2ALDH1A1
SCHEMBL10247649 0.82 ESR1 (0.33) ESR1ESR2
SCHEMBL30880292 0.82 CNR2 (0.47) ESR1ESR2ALDH1A1
SCHEMBL19296748 0.81 ESR1 (0.33) ESR1ESR2

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 68 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
EP-4321514-B1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF CGENETECH SUZHOU CHINA CO LTD (CN) 2025-12-03 EP disclosed
EP-3848361-B1 METHOD OF PRODUCING TETRACYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-01-22 EP disclosed
US-20240246927-A1 COMPOUNDS WITH ALK INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF CGENETECH (SUZHOU, CHINA) CO., LTD. (CN) 2024-07-25 US disclosed
CN-112585126-B Process for preparing tetracyclic compounds 中外制药株式会社 2024-05-07 CN disclosed
US-11939322-B2 Method for producing tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-03-26 US disclosed
EP-4321514-A1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF CGeneTech (Suzhou, China) Co., Ltd. (CN) 2024-02-14 EP disclosed
CN-115340523-B Compound with ALK inhibitory activity and preparation method and application thereof 盛世泰科生物医药技术(苏州)股份有限公司 2023-12-15 CN disclosed
CN-117024410-A Airotinib intermediate and preparation method thereof 上海药坦药物研究开发有限公司 2023-11-10 CN disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
CN-102459172-A Tetracyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2012-05-16 CN disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP 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
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 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 (4 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-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 APP 736/4885AKR1C3 1976/4885AKR1C2 1421/4885
US-20240246927-A1 COMPOUNDS WITH ALK INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ALK, ACVR1, ALKBH3 APP 3413/4885AKR1C3 998/4885AKR1C2 830/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 APP 736/4885AKR1C3 1976/4885AKR1C2 1421/4885
US-11939322-B2 Method for producing tetracyclic compound CYP1B1, CYP4B1, PAICS APP 2816/4885AKR1C3 2166/4885AKR1C2 2275/4885

“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.