SCHEMBL22005473

SCHEMBL22005473

OCN1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
CYP2D6 P10635 2/20 0.62
MEN1 O00255 1/20 0.62
USP2 O75604 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
NFKB1 P19838 1/20 0.62
SLC6A2 P23975 1/20 0.62
MAPK1 P28482 1/20 0.62
SLC6A4 P31645 1/20 0.62
CYP2C19 P33261 1/20 0.62
ADRA1A P35348 1/20 0.62
DRD3 P35462 1/20 0.62
HTR2B P41595 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL108678 0.92 KDM4E (0.70) KDM4ECYP2D6MEN1USP2CYP1A2
SCHEMBL19300219 0.87 KDM4E (0.62) KDM4ECYP2D6MEN1USP2CYP1A2
SCHEMBL8170046 0.85 KDM4E (0.62) KDM4ECYP2D6MEN1USP2CYP1A2
SCHEMBL2056152 0.84 KDM4E (0.62) KDM4ECYP2D6MEN1USP2CYP1A2
SCHEMBL8286300 0.84 KDM4E (0.62) KDM4ECYP2D6MEN1USP2CYP1A2
SCHEMBL2316901 0.84 CYP2D6 (0.82) KDM4ECYP2D6MEN1USP2CYP1A2
SCHEMBL19300185 0.84 CYP2D6 (0.63) KDM4ECYP2D6MEN1USP2CYP1A2
SCHEMBL13062752 0.84 ALDH1A1 (0.64) KDM4ECYP2D6MEN1USP2CYP1A2
SCHEMBL6482711 0.83 MEN1 (0.61) KDM4ECYP2D6MEN1USP2CYP1A2
SCHEMBL27663681 0.83 ALDH1A1 (0.70) KDM4EMEN1MAPK1KMT2AKCNH2

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-20200155519-A1 METHODS FOR TREATING CANCER WITH COMPOSITIONS COMPRISING AMLEXANOX AND IMMUNE MODULATORS MOONSHOT PHARMA LLC (US) 2020-05-21 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-20200155519-A1 METHODS FOR TREATING CANCER WITH COMPOSITIONS COMPRISING AMLEXANOX AND IMMUNE MODULATORS CD274, CD40, PDCD1LG2 KDM4E 165/4885CYP2D6 3747/4885MEN1 3803/4885

“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.