SCHEMBL13990243

SCHEMBL13990243

COc1cccc(-c2ccc(C)o2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
HPGD P15428 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
MAPT P10636 2/20 0.70
KMT2A Q03164 2/20 0.70
TP53 P04637 2/20 0.70
MEN1 O00255 1/20 0.70
GSK3B P49841 2/20 0.67
SLC9A1 P19634 1/20 0.54
KDM4E B2RXH2 3/20 0.51
USP2 O75604 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PIK3CG P48736 1/20 0.47

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
SCHEMBL18551784 0.81 GSK3B (0.56) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL13802274 0.77 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL12266933 0.77 SLC9A1 (0.50) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL13680560 0.77 GSK3B (0.59) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL18832312 0.77 HPGD (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6010284 0.77 SLC9A1 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2549273 0.77 PIK3CG (0.58) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL13078464 0.77 SLC9A1 (0.67) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL3741650 0.77 SLC9A1 (0.67) ALDH1A1HPGDSMN1; SMN2MAPTSLC9A1
SCHEMBL27883787 0.76 TDP1 (0.48) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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

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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885HPGD 1808/4885SMN1; SMN2 1844/4885

“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.