SCHEMBL2505239

SCHEMBL2505239

CCCCCCCCCCCCI.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
DNM1 Q05193 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 2/20 0.36
KCNH2 Q12809 1/20 0.36
NAAA Q02083 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL11728287 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1ESR1
SCHEMBL9862135 0.98 CYP3A4 (0.50) CYP3A4TDP1CES2CES1ESR1
SCHEMBL27372739 0.89 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Dodecane SCHEMBL27373256 0.89 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Heptane SCHEMBL27734164 0.89 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Pentadecane SCHEMBL27707032 0.89 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Tridecane SCHEMBL27393394 0.89 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Tetradecane SCHEMBL27451965 0.89 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Heptane SCHEMBL28244261 0.89 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Undecane SCHEMBL28327061 0.89 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1

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-9308214-B2 Method for moderately increasing the proton conductivity of biological membranes with the aid of mitochondria-targeted delocalized cations MITOTECH S.A. (LU) 2016-04-12 US disclosed
US-20110245207-A1 METHOD FOR MODERATELY INCREASING THE PROTON CONDUCTIVITY OF BIOLOGICAL MEMBRANES WITH THE AID OF MITOCHONDRIA-TARGETED DELOCALIZED CATIONS MITOTECH SA (LU) 2011-10-06 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-20110245207-A1 METHOD FOR MODERATELY INCREASING THE PROTON CONDUCTIVITY OF BIOLOGICAL MEMBRANES WITH THE AID OF MITOCHONDRIA-TARGETED DELOCALIZED CATIONS MCU, AGK, TFAM CYP3A4 1985/4885TDP1 2699/4885CES2 3181/4885

“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.