SCHEMBL6493816

SCHEMBL6493816

COc1cccc(Cc2ccc3c(=O)cc(C(C(C)C)N4CCN=C4c4ccc5c(c4)OCO5)oc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
KCNH2 Q12809 1/20 0.41
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRKDC P78527 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
PDE5A O76074 1/20 0.36

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
SCHEMBL13309259 0.84 CYP1A2 (0.38) EDNRBEDNRACYP1A2CYP3A4CYP2D6
SCHEMBL643780 0.82 CYP1A2 (0.39) KCNH2EDNRBEDNRACYP1A2CYP3A4
SCHEMBL643824 0.80 CYP1A2 (0.38) MCHR1KCNH2EDNRBEDNRACYP1A2
SCHEMBL6468495 0.79 EDNRA (0.38) EDNRBEDNRAFPR1FPR2
SCHEMBL644184 0.79 CYP1A2 (0.45) MCHR1KCNH2EDNRBEDNRACYP1A2
SCHEMBL6493822 0.79 PRKDC (0.35) MCHR1KCNH2PRKDCACHE
SCHEMBL646932 0.77 CYP1A2 (0.41) MCHR1KCNH2EDNRBEDNRACYP1A2
SCHEMBL644186 0.71 KCNH2 (0.35) MCHR1KCNH2EDNRBEDNRACYP3A4
SCHEMBL644257 0.70 KIF11 (0.45) KCNH2PRKDCALDH1A1ACHE
SCHEMBL644775 0.70 KCNH2 (0.39) MCHR1KCNH2PRKDCALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 US disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 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-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 MCHR1 4421/4885KCNH2 2582/4885EDNRB 2104/4885

“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.