SCHEMBL13636304

SCHEMBL13636304

CC(C)OCCCCCCCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.54
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.43
APP P05067 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NR4A2 P43354 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42

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
SCHEMBL13636305 1.00 HRH3 (0.54) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL13290639 0.95 HRH3 (0.50) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL13483901 0.89 KMT2A (0.50) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL22248703 0.87 HRH3 (0.65) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL22248702 0.85 HRH3 (0.62) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL26028071 0.85 KMT2A (0.53) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL13636303 0.84 HRH3 (0.41) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL13636302 0.82 SMN1; SMN2 (0.40) HRH3KDM4EMEN1KMT2APOLB
SCHEMBL25527515 0.81 SMN1; SMN2 (0.47) KDM4EMEN1KMT2APOLBSMN1; SMN2
SCHEMBL20234326 0.81 HRH3 (0.61) HRH3KDM4EMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304385-B2 Macrocyclic tetrazolyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8304385-B2 Macrocyclic tetrazolyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-04 US disclosed
US-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-04 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-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 HRH3 3743/4885KDM4E 1235/4885MEN1 4264/4885

“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.