SCHEMBL4220259

SCHEMBL4220259

Nc1cc(O)c(OCc2ccccc2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.54
▸ FOLH1 Q04609 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PTGER1 P34995 3/20 0.47
▸ MAOB P27338 3/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL26110459 0.84 FOLH1 (0.55) MCL1FOLH1KDM4EALDH1A1POLB
SCHEMBL582711 0.84 FOLH1 (0.51) MCL1FOLH1KDM4EALDH1A1POLB
SCHEMBL4728946 0.83 CTSV (0.57) FOLH1KDM4E
SCHEMBL3138320 0.83 CTSV (0.57) FOLH1KDM4E
SCHEMBL19554264 0.81 MRGPRX4 (0.53) MCL1FOLH1KDM4EALDH1A1POLB
SCHEMBL16432058 0.81 FOLH1 (0.55) MCL1FOLH1KDM4EALDH1A1POLB
SCHEMBL10089235 0.81 FOLH1 (0.69) MCL1FOLH1KDM4EALDH1A1POLB
SCHEMBL20897407 0.79 HTT (0.55) FOLH1ALDH1A1POLBL3MBTL1MEN1
SCHEMBL11163647 0.79 LMNA (0.55) MCL1FOLH1L3MBTL1MAOBPTPN1
SCHEMBL18677626 0.78 TSHR (0.54) KDM4EALDH1A1POLBL3MBTL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 — — US disclosed
CN-100404517-C Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 — — CN disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 — — US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 — — EP disclosed
CN-1150171-C Bicyclic heterocycles, pharmaceutical compositions containing these compounds, and processes for their preparation ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-05-19 — — CN disclosed
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 — — US disclosed
CN-1449390-A Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-15 — — CN disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 — — US disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 — — US disclosed
CN-1343201-A Bicyclic heterocycles, pharmaceutical compositions containing these compounds, and processes for preparing them BOEHRINGER INGELHEIM PHARMA (DE) 2002-04-03 — — CN disclosed
EP-1163227-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 — — EP disclosed
WO-2000055141-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 — — 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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 MCL1 2407/4885FOLH1 2499/4885KDM4E 4304/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 MCL1 2407/4885FOLH1 2499/4885KDM4E 4304/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 MCL1 2324/4885FOLH1 2081/4885KDM4E 4621/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 MCL1 485/4885FOLH1 3487/4885KDM4E 3279/4885

“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.

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