SCHEMBL888940

SCHEMBL888940

CC(C)c1ccc2cc(-c3ccc(C(C)C)nc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.38
CYP11B1 P15538 6/20 0.38
CYP17A1 P05093 3/20 0.38
CYP19A1 P11511 3/20 0.38
UGT2B7 P16662 1/20 0.37
SGK1 O00141 1/20 0.37
FTO Q9C0B1 1/20 0.36
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 0.35
ATP1A2 P50993 1/20 0.35
ATP1B3 P54709 1/20 0.35
FXYD2 P54710 1/20 0.35
ATP1A4 Q13733 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 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
SCHEMBL25763712 0.86 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1CYP19A1UGT2B7
SCHEMBL12810159 0.83 CYP1A2 (0.43) CYP11B2CYP11B1CYP17A1CYP19A1FTO
SCHEMBL889387 0.82 EGLN1 (0.44) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL888947 0.81 FTO (0.41) CYP11B2CYP11B1CYP17A1CYP19A1UGT2B7
SCHEMBL19772854 0.81 RXRA (0.49) KDM4EALDH1A1TP53MAPTABL1
SCHEMBL10147747 0.81 FTO (0.41) CYP11B2CYP11B1CYP17A1CYP19A1UGT2B7
SCHEMBL888893 0.80 CHRNA7 (0.36) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL19037207 0.80 CYP11B1 (0.41) CYP11B2CYP11B1CYP17A1CYP19A1ATP1A1
SCHEMBL21036863 0.79 PIK3CD (0.40) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL13677499 0.79 UGT2B7 (0.41) UGT2B7NPC1RAB9AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP11B2 714/4885CYP11B1 319/4885CYP17A1 612/4885

“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.