SCHEMBL6364660

SCHEMBL6364660

CC(C)(C)c1cc2c(cc1C(C)(C)C)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
ATM Q13315 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
GABRA1 P14867 1/20 0.37
MAOA P21397 1/20 0.37
PDE4A P27815 1/20 0.37
KDR P35968 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ATP2A2 P16615 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATP2A3 Q93084 1/20 0.36

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
SCHEMBL18308983 0.86 ALOX5 (0.38) CYP3A4ABCG2ATMSLC6A2SLC6A3
SCHEMBL8248216 0.84 ALDH1A1 (0.40) CYP3A4ATMSLC6A2SLC6A3PGR
SCHEMBL4995839 0.84 MAPT (0.43) CYP3A4ATMSLC6A2SLC6A3PGR
SCHEMBL21363801 0.84 ALOX15 (0.56) CYP3A4SLC6A2SLC6A3PGRAR
SCHEMBL7440407 0.84 CYP3A4 (0.33) CYP3A4ABCG2ATMSLC6A2SLC6A3
SCHEMBL4135020 0.84 CYP3A4 (0.33) CYP3A4ABCG2ATMSLC6A2SLC6A3
SCHEMBL12203329 0.84 PTGS2 (0.37) CYP3A4ATMSLC6A2SLC6A3PGR
SCHEMBL6365029 0.84 ITGB2 (0.38) ATMALDH1A1KDM4ECYP1A2MAPT
SCHEMBL24008355 0.83 ALDH1A1 (0.40) CYP3A4ALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL23480218 0.81 CYP3A4 (0.36) CYP3A4SLC6A2SLC6A3PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds OREGON STATE UNIVERSITY (US) 2023-07-25 US disclosed
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds OREGON STATE UNIVERSITY (US) 2023-07-25 US disclosed
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20220009944-A1 ANALOGUES AND DERIVATIVES OF CEPHALOTAXINE AND METHODS FOR MAKING AND USING THE COMPOUNDS OREGON STATE UNIVERSITY (US) 2022-01-13 US disclosed
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME KOWA COMPANY, LTD (JP) 2012-05-03 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 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 (6 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-20090048112-A1 Novel Herbicides HAX1, MTX1, CYP4X1 CYP3A4 165/4885ABCG2 296/4885ATM 2102/4885
US-20220009944-A1 ANALOGUES AND DERIVATIVES OF CEPHALOTAXINE AND METHODS FOR MAKING AND USING THE COMPOUNDS SLC6A2, NAPRT, SLC6A3 CYP3A4 2094/4885ABCG2 1412/4885ATM 4443/4885
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME EPOR, JAK2, HBZ CYP3A4 656/4885ABCG2 3016/4885ATM 4715/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 CYP3A4 1424/4885ABCG2 1473/4885ATM 2990/4885
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds SLC6A2, NAPRT, SLC6A3 CYP3A4 2094/4885ABCG2 1412/4885ATM 4443/4885
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ACE, SARS1, ACE2 CYP3A4 1424/4885ABCG2 1473/4885ATM 2990/4885

“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.