SCHEMBL4484997

SCHEMBL4484997

Cc1ccc(C(=O)OCCl)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
HSD11B1 P28845 1/20 0.42
TNF P01375 1/20 0.42
PKM P14618 1/20 0.42
CDK5 Q00535 1/20 0.42
KLF5 Q13887 1/20 0.42
CDK5R1 Q15078 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1107151 0.85 MEN1 (0.60) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL29668381 0.85 MEN1 (0.60) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL25859075 0.84 MEN1 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9642581 0.82 MEN1 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL15709794 0.82 MEN1 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7041225 0.82 KMT2A (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9579673 0.81 ALDH1A1 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL23736407 0.79 KMT2A (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL21376013 0.79 MEN1 (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4090341 0.79 RAB9A (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536641-B Lactone compound and preparation method and application thereof 广州润尔眼科生物科技有限公司 2024-12-27 CN disclosed
CN-119176806-A Aceclidine prodrug, and preparation method and application thereof 上海英诺富成生物科技有限公司 2024-12-24 CN disclosed
US-20230331696-A1 SALT FORM OF ISOQUINOLINONE TYPE COMPOUND AS ROCK INHIBITOR AND PREPARATION METHOD THEREFOR OCUSUN OPHTHALMIC PHARMACEUTICAL (GUANGZHOU) CO., LTD. (CN) 2023-10-19 US disclosed
US-20230331696-A1 SALT FORM OF ISOQUINOLINONE TYPE COMPOUND AS ROCK INHIBITOR AND PREPARATION METHOD THEREFOR OCUSUN OPHTHALMIC PHARMACEUTICAL (GUANGZHOU) CO., LTD. (CN) 2023-10-19 US disclosed
US-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF GUANGZHOU OCUSUN OPHTHALMIC BIOTECHNOLOGY CO., LTD. (CN) 2023-01-26 US disclosed
CN-115536641-A Lactone compound and preparation method and application thereof 上海英诺富成生物科技有限公司 2022-12-30 CN disclosed
EP-3988544-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF Guangzhou Ocusun Ophthalmic Biotechnology Co., Ltd. (CN) 2022-04-27 EP disclosed
WO-2020253882-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF 中山大学中山眼科中心 2020-12-24 WO disclosed
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US disclosed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US disclosed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 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 (3 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-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF ROCK1, ROCK2, CIT MEN1 2042/4885KMT2A 2301/4885RAB9A 582/4885
US-20230331696-A1 SALT FORM OF ISOQUINOLINONE TYPE COMPOUND AS ROCK INHIBITOR AND PREPARATION METHOD THEREFOR ROCK1, ROCK2, NHERF1 MEN1 852/4885KMT2A 2241/4885RAB9A 711/4885
US-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 MEN1 765/4885KMT2A 1463/4885RAB9A 786/4885

“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.