SCHEMBL6529360

SCHEMBL6529360

COC(C)(CC(N)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CES1 P23141 1/20 0.43
KCNN4 O15554 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
MAPK1 P28482 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
KIF11 P52732 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL362442 0.77 KMT2A (0.55) KMT2AMAPTCYP2C19HIF1AKCNN4
SCHEMBL2813766 0.77 MAPT (0.55) KMT2AMAPTCYP2C19HIF1AKCNN4
SCHEMBL11249 0.76 MAPT (0.42) KMT2AMAPTCYP2C19HIF1ACES1
SCHEMBL5084151 0.76 KMT2A (0.53) KMT2AMAPTCYP2C19HIF1AKCNN4
Hydrochloric Acid SCHEMBL5789392 0.76 MAPT (0.53) KMT2AMAPTCYP2C19HIF1AKCNN4
SCHEMBL15899461 0.75 CES1 (0.43) KMT2AMAPTCYP2C19HIF1ACES1
SCHEMBL5832056 0.75 ALDH1A1 (0.45) KMT2AMAPTCYP2C19HIF1ACES1
SCHEMBL15397576 0.74 MAPT (0.52) KMT2AMAPTCYP2C19HIF1AKCNN4
SCHEMBL7385247 0.74 MAPT (0.57) KMT2AMAPTCYP2C19HIF1AKCNN4
SCHEMBL28275033 0.74 MAPT (0.52) KMT2AMAPTCYP2C19HIF1AKCNN4

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-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 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-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 KMT2A 3202/4885MAPT 2811/4885CYP2C19 2052/4885

“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.