SCHEMBL13267652

SCHEMBL13267652

CCCCCC1CCC(C2CCC(C(=O)CC)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
CCR2 P41597 1/20 0.43
MAPT P10636 2/20 0.41
TLR4 O00206 1/20 0.38
ALOX5 P09917 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
SCHEMBL13267657 0.94 PKM (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL17002058 0.94 PKM (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL7901827 0.93 PKM (0.44) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL13267818 0.93 HTT (0.56) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL13267742 0.93 HTT (0.56) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL11028782 0.90 PKM (0.43) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL7506930 0.90 PKM (0.49) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL11030484 0.89 HTT (0.45) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL13267644 0.89 HTT (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL10485928 0.87 TLR4 (0.47) PKMKMT2AHTTMEN1CYP1A2

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-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 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-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 PKM 4765/4885KMT2A 4671/4885HTT 4584/4885

“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.