SCHEMBL20176003

SCHEMBL20176003

Cc1ccc(-c2cnc3c(O)cccc3c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.73
PARP1 P09874 5/20 0.63
COMT P21964 2/20 0.44
MMP2 P08253 1/20 0.44
CHRM1 P11229 1/20 0.44
TSHR P16473 1/20 0.44
ADRA1A P35348 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PSMD14 O00487 1/20 0.42

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
SCHEMBL28723725 0.85 KDM4E (1.00) KDM4EPARP1COMTMMP2CHRM1
SCHEMBL1787225 0.81 KDM4E (1.00) KDM4EPARP1COMTMMP2CHRM1
SCHEMBL16509930 0.81 CCR1 (0.59) KDM4EPARP1PDGFRBPDGFRANPC1
Hydrochloric Acid SCHEMBL9333864 0.80 KDM4E (0.96) KDM4EPARP1COMTMMP2CHRM1
SCHEMBL27824094 0.80 KDM4E (0.96) KDM4EPARP1COMTMMP2CHRM1
SCHEMBL20176009 0.77 KDM4E (0.62) KDM4ECOMTMMP2CHRM1TSHR
SCHEMBL18015542 0.75 KDM4E (0.71) KDM4EPARP1COMTMMP2CHRM1
SCHEMBL21952785 0.75 KDM4E (0.64) KDM4EPARP1COMTMMP2CHRM1
SCHEMBL13706265 0.74 PARP1 (0.52) KDM4EPARP1TSHRPDGFRBPDGFRA
Jineol SCHEMBL29696064 0.73 KDM4E (0.67) KDM4ECOMTMMP2CHRM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141911-A1 Quinoline Derivatives for Diagnosis and Treatment of Alzheimer's Disease NORTHEASTERN UNIVERSITY 2018-05-24 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-20180141911-A1 Quinoline Derivatives for Diagnosis and Treatment of Alzheimer's Disease MAPT, PSEN1, PSEN2 KDM4E 3865/4885PARP1 2886/4885COMT 222/4885

“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.