SCHEMBL13636302

SCHEMBL13636302

CC(C)OCCCC/C=C/COc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
APP P05067 1/20 0.35
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
NR4A2 P43354 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL13636303 0.99 HRH3 (0.41) SMN1; SMN2HRH3KDM4EPPARGPPARA
SCHEMBL13636305 0.82 HRH3 (0.54) SMN1; SMN2HRH3KDM4EMEN1KMT2A
SCHEMBL13636304 0.82 HRH3 (0.54) SMN1; SMN2HRH3KDM4EMEN1KMT2A
SCHEMBL13639087 0.82 SMN1; SMN2 (0.41) SMN1; SMN2HRH3KDM4EPPARGPPARA
SCHEMBL13290639 0.81 HRH3 (0.50) SMN1; SMN2HRH3KDM4EMEN1KMT2A
SCHEMBL13483901 0.76 KMT2A (0.50) SMN1; SMN2HRH3KDM4EMEN1KMT2A
SCHEMBL11867337 0.73 MAOB (0.41) SMN1; SMN2HRH3KDM4EMEN1KMT2A
SCHEMBL13636325 0.73 NPC1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL26028071 0.72 KMT2A (0.53) SMN1; SMN2HRH3KDM4EMEN1KMT2A
SCHEMBL13636250 0.72 ALDH1A1 (0.41) KDM4EMEN1KMT2ARXRARXRB

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 SMN1; SMN2 3603/4885HRH3 3743/4885KDM4E 1235/4885

“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.