SCHEMBL2232191

SCHEMBL2232191

O=C(CCC1CC1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
MAPK1 P28482 2/20 0.56
KLK7 P49862 2/20 0.52
TDP1 Q9NUW8 4/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
NOTUM Q6P988 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL29307410 0.94 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1KLK7TDP1
SCHEMBL9265342 0.94 KLK7 (0.60) ALDH1A1L3MBTL1MAPK1KLK7TDP1
SCHEMBL7495579 0.94 KLK7 (0.57) ALDH1A1L3MBTL1MAPK1KLK7TDP1
SCHEMBL4065004 0.92 KLK7 (0.59) ALDH1A1L3MBTL1MAPK1KLK7TDP1
SCHEMBL11832289 0.91 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1KLK7TDP1
SCHEMBL7060349 0.90 ITGB3 (0.49) ALDH1A1L3MBTL1MAPK1KLK7GLA
SCHEMBL22502940 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1KLK7NOTUM
SCHEMBL9105970 0.86 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1KLK7TDP1
SCHEMBL19303755 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1KMT2ANOTUM
SCHEMBL22525497 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1KLK7TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813308-A Nitrogen-containing condensed ring compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-04-02 CN disclosed
CN-105884607-A Preparation method of cyclopropylpropionic acid 上海合全药业股份有限公司 2016-08-24 CN disclosed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP disclosed
CN-1221535-C Spiroimidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA GMBH (DE) 2005-10-05 CN disclosed
CN-1356986-A Spiroimidazolidine derivatives, their prepn. their use and pharmaceutical prepns. comprising them AVENTIS PHARMA GMBH (DE) 2002-07-03 CN 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 (2 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 ALDH1A1 1773/4885L3MBTL1 1819/4885MAPK1 1526/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A ALDH1A1 162/4885L3MBTL1 4824/4885MAPK1 2529/4885

“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.