SCHEMBL710330

SCHEMBL710330

COC(C([O])=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.47
CYP3A4 P08684 1/20 0.47
GLS O94925 4/20 0.47
RAB9A P51151 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
SCHEMBL103235 0.84 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL9539620 0.84 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL155984 0.84 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL104518 0.84 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL3156773 0.83 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
Methane SCHEMBL9122539 0.83 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL8917738 0.83 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6178991 0.83 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL38660904 0.83 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL15116487 0.83 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124744-B2 Macrolide derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US claimed
EP-2077271-A1 MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-07-08 EP claimed
US-20090076253-A1 MACROLIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-03-19 US claimed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP claimed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO claimed
US-8124744-B2 Macrolide derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
EP-2077271-A1 MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-07-08 EP disclosed
US-20090076253-A1 MACROLIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-03-19 US disclosed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP disclosed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 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 (1 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-20090076253-A1 MACROLIDE DERIVATIVES MMP9, MMP2, MMP11 ALDH1A1 1697/4885GAA 1402/4885L3MBTL1 4428/4885

“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.