SCHEMBL4569189

SCHEMBL4569189

NC(=O)CCc1c(O)ccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 5/20 0.61
GAA P10253 5/20 0.61
MAPT P10636 5/20 0.61
TAAR1 Q96RJ0 1/20 0.61
HSD17B10 Q99714 2/20 0.60
GLA P06280 1/20 0.60
HPGD P15428 1/20 0.60
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 1/20 0.51
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL8890863 0.86 KDM4E (0.70) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL23499977 0.84 KDM4E (0.72) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL226196 0.83 HSD17B10 (0.76) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL27925834 0.80 KDM4E (0.66) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL4019720 0.80 HSD17B10 (0.70) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL7562958 0.79 F12 (0.45)
SCHEMBL21157258 0.79 KDM4E (0.55) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL30873471 0.78 HSD17B10 (0.68) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL4313850 0.78 HSD17B10 (0.68) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL8398635 0.78 HSD17B10 (0.68) KDM4EALDH1A1GAAMAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122787-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE (PKD) OR OTHER CYST FORMING DISEASES STOWERS INSTITUTE FOR MEDICAL RESEARCH 2012-05-17 US disclosed
US-20120122787-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE (PKD) OR OTHER CYST FORMING DISEASES STOWERS INSTITUTE FOR MEDICAL RESEARCH 2012-05-17 US disclosed
WO-2011006040-A2 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE (PKD) OR OTHER CYST FORMING DISEASES STOWERS INSTITUTE FOR MEDICAL RESEARCH (US) 2011-01-13 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-20120122787-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE (PKD) OR OTHER CYST FORMING DISEASES PKD2, PKD1, HDAC4 KDM4E 852/4885ALDH1A1 1530/4885GAA 293/4885

“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.