SCHEMBL406268

SCHEMBL406268

COc1cc(C(C)=O)c(OC)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
IDO1 P14902 1/20 0.46
PLK1 P53350 1/20 0.45
HPGDS O60760 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
CDC25B P30305 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL23535302 0.89 HTT (0.60) HTTKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL23535314 0.87 IRAK4 (0.44) HTTKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL976330 0.86 KDM4E (0.57) HTTKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL10892729 0.85 KDM4E (0.45) HTTKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL3741758 0.85 KDM4E (0.60) KDM4ESMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL8586325 0.85 KDM4E (0.45) HTTKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL5963049 0.83 POLB (0.50) HTTKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL5963051 0.83 POLB (0.50) HTTKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL4044126 0.83 MAPT (0.64) HTTKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL5963042 0.82 HMGCR (0.53) KDM4ESMN1; SMN2ALDH1A1MAPK1CYP1A2

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
WO-2022118186-A1 SENOTHERAPEUTIC COMPOUND BIONEXA S.R.L. (IT) 2022-06-09 WO disclosed
WO-2021125905-A1 NOVEL THIAZOLE DERIVATIVE AND USE THEREOF 가천대학교 산학협력단 2021-06-24 WO disclosed
WO-2019008537-A9 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2020-02-20 WO disclosed
WO-2019008537-A1 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2019-01-10 WO disclosed
EP-2285787-B1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2015-08-26 EP disclosed
US-8404730-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-03-26 US disclosed
US-20120046312-A1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-02-23 US disclosed
US-8101642-B2 3-substituted propanamine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-01-24 US disclosed
EP-2285787-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK Holdings Co., Ltd. (KR) 2011-02-23 EP disclosed
US-20100311789-A1 3-Substituted Propanamine Compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2010-12-09 US disclosed
WO-2009148290-A2 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2009-12-10 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 (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-20120046312-A1 3-SUBSTITUTED PROPANAMINE COMPOUNDS ADRB3, PNMT, OPRK1 HTT 751/4885KDM4E 3936/4885SMN1; SMN2 397/4885
US-20100311789-A1 3-Substituted Propanamine Compounds ADRB3, PNMT, OPRK1 HTT 751/4885KDM4E 3936/4885SMN1; SMN2 397/4885

“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.