SCHEMBL16658644

SCHEMBL16658644

O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(O)c(CN3CCCCC3)c2o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.70
KDM4E B2RXH2 9/20 0.70
HPGD P15428 8/20 0.70
CASP1 P29466 3/20 0.70
CASP7 P55210 3/20 0.70
HSD17B10 Q99714 3/20 0.70
ERAP1 Q9NZ08 3/20 0.60
KMT2A Q03164 3/20 0.58
HIF1A Q16665 3/20 0.57
GLA P06280 4/20 0.54
GAA P10253 4/20 0.54
USP2 O75604 3/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
BRCA1 P38398 2/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 2/20 0.52
HBB P68871 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL16658645 0.99 KDM4E (0.68) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL16658646 0.91 HSD17B10 (0.60) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL16623049 0.91 KDM4E (0.58) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL16658642 0.89 KDM4E (0.56) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL16623035 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL16658659 0.88 KDM4E (0.61) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL16623038 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL16623042 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL16658653 0.86 KDM4E (0.55) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL16623033 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDCASP1CASP7

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-9630953-B2 Small compounds targeting TACC3 JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 2017-04-25 US disclosed
US-9630953-B2 Small compounds targeting TACC3 JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 2017-04-25 US disclosed
US-20150111888-A1 SMALL COMPOUNDS TARGETING TACC3 JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 2015-04-23 US disclosed
US-20150111888-A1 SMALL COMPOUNDS TARGETING TACC3 JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 2015-04-23 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-20150111888-A1 SMALL COMPOUNDS TARGETING TACC3 TACR3, TACR2, SLC43A1 ALDH1A1 2396/4885KDM4E 3171/4885HPGD 4170/4885

“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.