SCHEMBL10028056

SCHEMBL10028056

COc1ccccc1-c1ccc(C)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 7/20 0.60
HPGD P15428 6/20 0.60
HSD17B10 Q99714 4/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 6/20 0.55
SLC9A1 P19634 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RECQL P46063 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.48
CYP3A4 P08684 1/20 0.46
APP P05067 1/20 0.46
PIK3CG P48736 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL14667436 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL28311857 0.83 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL28223719 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL29273188 0.79 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL10028052 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL28312055 0.79 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL28879156 0.77 NPC1 (0.57) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL6827363 0.76 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL12826605 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL2551317 0.75 KDM4E (0.66) ALDH1A1KDM4EHPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010259-A1 Methods of Treating an Overweight or Obese Subject ZAFGEN, INC. 2012-01-12 US disclosed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP disclosed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP disclosed
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (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-20120010259-A1 Methods of Treating an Overweight or Obese Subject METAP2, METAP1, ACER2 ALDH1A1 802/4885KDM4E 905/4885HPGD 2251/4885

“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.