SCHEMBL9935320

SCHEMBL9935320

Cc1cc(OCCC(C)(C)O)cc(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.38
STAT3 P40763 1/20 0.38
NOD2 Q9HC29 1/20 0.38
VDR P11473 2/20 0.38
TSHR P16473 3/20 0.38
MCL1 Q07820 1/20 0.37
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
FFAR1 O14842 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PDIA6 Q15084 1/20 0.33
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL15471453 0.91 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMAPTSTAT3
SCHEMBL13564148 0.85 VDR (0.43) HPGDVDRTSHRMCL1CYP2D6
SCHEMBL9935583 0.84 PTGS1 (0.41) VDRTSHRMCL1CYP2D6CYP1A2
SCHEMBL9935580 0.82 MCL1 (0.40) ALDH1A1HPGDMAPTVDRTSHR
SCHEMBL20439037 0.82 POLB (0.39) ALDH1A1VDRTSHRMCL1CYP2D6
SCHEMBL16583612 0.82 MCL1 (0.56) ALDH1A1LMNAHPGDMAPTTSHR
SCHEMBL10058422 0.82 VDR (0.38) ALDH1A1LMNAVDRTSHRMCL1
SCHEMBL9934421 0.82 VDR (0.41) ALDH1A1LMNAVDRTSHRMCL1
SCHEMBL15263050 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHPGDMAPTSTAT3
SCHEMBL2022963 0.81 SMN1; SMN2 (0.47) LMNAMAPTSTAT3VDRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110198928-B Benzyloxy-pyridinyl-cyclopropanecarboxylic acid, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2023-08-29 CN disclosed
CN-110088089-B Benzyl amino pyridyl cyclopropane carboxylic acid, pharmaceutical composition and application thereof 勃林格殷格翰国际有限公司 2023-08-29 CN disclosed
CN-110312714-B Benzyloxypyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2022-12-09 CN disclosed
CN-110300755-B Indanyl amino aza dihydro benzofuran acetic acid, pharmaceutical composition for treating diabetes 勃林格殷格翰国际有限公司 2022-10-04 CN disclosed
EP-3580222-B1 INDANYLAMINOAZADIHYDROBENZOFURANYLACETIC ACIDS, PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-04-07 EP disclosed
US-10913720-B2 Benzyloxypyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-09 US disclosed
EP-3532458-B1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-01-20 EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-10603317-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-31 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US 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-10603317-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 ALDH1A1 1719/4885LMNA 3230/4885HPGD 1402/4885
US-10913720-B2 Benzyloxypyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 ALDH1A1 1812/4885LMNA 3334/4885HPGD 1164/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 ALDH1A1 2875/4885LMNA 4218/4885HPGD 3170/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 ALDH1A1 2867/4885LMNA 4435/4885HPGD 2852/4885

“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.