SCHEMBL6009501

SCHEMBL6009501

COc1ccc(Cl)cc1-c1ccc(C=O)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HPGD P15428 4/20 0.62
SLC9A1 P19634 9/20 0.54
ERN1 O75460 1/20 0.49
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
STAT3 P40763 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
PRNP P04156 1/20 0.44
PPARG P37231 1/20 0.44
MAPK10 P53779 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 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
SCHEMBL6009509 0.85 SLC9A1 (0.56) ALDH1A1HPGDSLC9A1KDM4ESMN1; SMN2
SCHEMBL6009560 0.85 SLC9A1 (0.56) ALDH1A1HPGDSLC9A1KDM4ENPC1
SCHEMBL4179195 0.84 ALDH1A1 (0.61) ALDH1A1HPGDSLC9A1KDM4ETSHR
SCHEMBL27330465 0.80 KDM4E (0.58) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL4697667 0.80 HPGD (0.65) ALDH1A1HPGDSLC9A1KDM4ENPC1
SCHEMBL2551317 0.78 KDM4E (0.66) ALDH1A1HPGDSLC9A1ERN1KDM4E
SCHEMBL1116236 0.78 ALDH1A1 (0.56) ALDH1A1HPGDERN1KDM4ENPC1
SCHEMBL3030714 0.77 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL6010140 0.77 PIK3CA (0.57) ALDH1A1HPGDSLC9A1ERN1KDM4E
SCHEMBL6009499 0.77 ALDH1A1 (0.62) ALDH1A1HPGDSLC9A1ERN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466291-B2 1,5-dideoxy-1,5-imino-D-glucitol compounds ACADEMIA SINICA (TW) 2013-06-18 US disclosed
US-8466291-B2 1,5-dideoxy-1,5-imino-D-glucitol compounds ACADEMIA SINICA (TW) 2013-06-18 US disclosed
US-20100113519-A1 1,5-Dideoxy-1,5-imino-D-glucitol Compounds ACADEMIA SINICA (TW) 2010-05-06 US disclosed
US-20100113519-A1 1,5-Dideoxy-1,5-imino-D-glucitol Compounds ACADEMIA SINICA (TW) 2010-05-06 US disclosed
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 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-20100113519-A1 1,5-Dideoxy-1,5-imino-D-glucitol Compounds HEXD, GALE, GBA1 ALDH1A1 321/4885HPGD 492/4885SLC9A1 830/4885

“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.