SCHEMBL13624704

SCHEMBL13624704

CC/C=C\CNC/C=C\CNCCCCNC/C=C\CNCC

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.71
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.35
PAOX Q6QHF9 2/20 0.33
SMOX Q9NWM0 1/20 0.32
SAT1 P21673 1/20 0.31
TP53 P04637 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30

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
SCHEMBL13097521 0.93 KDM1A (0.81) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL13097522 0.91 KDM1A (0.86) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL13097505 0.91 KDM1A (0.86) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL12951421 0.91 KDM1A (0.85) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL13611317 0.88 KDM1A (0.91) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL13097526 0.88 KDM1A (0.90) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL13097518 0.88 KDM1A (0.90) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL12951515 0.88 KDM1A (0.90) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL23468531 0.86 KDM1A (0.71) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL12951514 0.86 KDM1A (0.95) KDM1ACYP2C19CYP1A2MEN1GLA

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-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 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-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV KDM1A 3178/4885CYP2C19 2936/4885CYP1A2 3658/4885

“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.