SCHEMBL13629121

SCHEMBL13629121

CCCOCCCCCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.36
TSHR P16473 2/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 1/20 0.35
SPHK2 Q9NRA0 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 2/20 0.31

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
SCHEMBL23014750 1.00 HRH3 (0.42) HRH3HTTMEN1THRBKMT2A
SCHEMBL25940839 0.98 HTT (0.45) HRH3HTTMEN1THRBKMT2A
SCHEMBL16491133 0.91 HTT (0.52) HRH3HTTMEN1THRBKMT2A
SCHEMBL12300027 0.91 HTT (0.52) HRH3HTTMEN1THRBKMT2A
SCHEMBL17615514 0.90 HRH3 (0.42) HRH3HTTMEN1THRBKMT2A
SCHEMBL27805443 0.90 HRH3 (0.47) HRH3HTTMEN1THRBKMT2A
SCHEMBL29926359 0.90 HRH3 (0.47) HRH3HTTMEN1THRBKMT2A
SCHEMBL4451768 0.90 HRH3 (0.47) HRH3HTTMEN1THRBKMT2A
SCHEMBL20225751 0.88 TSHR (0.48) HRH3HTTMEN1THRBKMT2A
SCHEMBL19640961 0.88 HRH3 (0.41) HRH3HTTMEN1THRBKMT2A

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-20090285900-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2009-11-19 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-20090285900-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE HSD3B2, ADRB2, HSD11B2 HRH3 191/4885HTT 3245/4885MEN1 4650/4885

“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.