SCHEMBL4604583

SCHEMBL4604583

COCCOc1cc(C)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
AHR P35869 1/20 0.39
RAB9A P51151 2/20 0.37
RECQL P46063 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL19399855 0.94 MEN1 (0.45) ALDH1A1MEN1KMT2ANPC1MAPK1
SCHEMBL4168797 0.91 ALDH1A1 (0.55) ALDH1A1NPC1MAPK1AHRRAB9A
SCHEMBL4602701 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ANPC1MAPK1
SCHEMBL3440051 0.89 MEN1 (0.49) ALDH1A1MEN1KMT2ANPC1MAPK1
SCHEMBL13413138 0.88 KDM4E (0.42) ALDH1A1MEN1KMT2ANPC1MAPK1
SCHEMBL18427010 0.86 AHR (0.49) ALDH1A1NPC1MAPK1ACHEAHR
SCHEMBL12299798 0.85 ALDH1A1 (0.48) ALDH1A1NPC1MAPK1AHRRAB9A
SCHEMBL13095984 0.83 AHR (0.46) ALDH1A1NPC1MAPK1ACHETP53
SCHEMBL13021583 0.83 MEN1 (0.45) ALDH1A1MEN1KMT2ANPC1MAPK1
SCHEMBL13433987 0.83 TP53 (0.44) ALDH1A1MEN1KMT2ANPC1MAPK1

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
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US claimed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP claimed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO claimed
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 ALDH1A1 13/4885MEN1 1740/4885KMT2A 3596/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 ALDH1A1 171/4885MEN1 177/4885KMT2A 118/4885

“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.