SCHEMBL13636308

SCHEMBL13636308

COc1ccc(C(C)(C)C)cc1/C=C/CCCCNC(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
REN P00797 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
BACE1 P56817 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL13636306 0.96 HTT (0.40) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13846061 0.83 NPSR1 (0.35) KDM4ENPSR1ALDH1A1RENTDP1
SCHEMBL13636257 0.83 MEN1 (0.36) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13636293 0.82 HTT (0.38) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13636261 0.82 MEN1 (0.35) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13636262 0.81 MEN1 (0.36) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13636291 0.79 HTT (0.37) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13639032 0.78 L3MBTL1 (0.36) KDM4ESMN1; SMN2GAANPSR1ALDH1A1
SCHEMBL13639105 0.78 L3MBTL1 (0.38) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13636313 0.75 MEN1 (0.44) HTTMEN1KMT2AKDM4EALDH1A1

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 HTT 4341/4885MEN1 4264/4885KMT2A 2482/4885

“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.