SCHEMBL8601473

SCHEMBL8601473

Cc1cc(CC(C)(C)C)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.63
ESR2 Q92731 9/20 0.63
AR P10275 5/20 0.50
PDE10A Q9Y233 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EGFR P00533 1/20 0.43
CYP1A2 P05177 1/20 0.43
FYN P06241 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL25596207 0.84 ESR1 (0.59) ESR1ESR2ARPDE10ATDP1
SCHEMBL15471624 0.83 ESR1 (0.54) ESR1ESR2ARTDP1KDM4E
SCHEMBL2600039 0.83 ALOX15 (0.59) ESR1ARTDP1TP53KDM4E
SCHEMBL9007994 0.80 ESR1 (0.59) ESR1ESR2ARPDE10ATDP1
SCHEMBL13205236 0.80 ESR1 (0.59) ESR1ESR2ARPDE10ATDP1
SCHEMBL10711420 0.79 ESR1 (0.54) ESR1ESR2TDP1KDM4EMEN1
SCHEMBL339012 0.78 ESR1 (0.58) ESR1ESR2ARTDP1TP53
SCHEMBL29499835 0.78 ESR1 (0.56) ESR1ESR2AR
SCHEMBL3234644 0.78 ESR1 (0.68) ESR1ESR2AR
SCHEMBL25596190 0.78 ESR1 (0.52) ESR1ESR2ARPDE10ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-RE47302-E1 Peptide epoxyketone immunoproteasome inhibitors ONYX THERAPEUTICS INC. (US) 2019-03-19 US disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-20140336106-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-11-13 US disclosed
US-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 US disclosed
EP-0650952-B1 Process for 3,5-di-tert-butylsalicylaldehyde SEPRACOR INC (US) 1998-02-18 EP disclosed
EP-0650952-A1 Process for 3,5-di-tert-butylsalicylaldehyde SEPRACOR, INC. (US) 1995-05-03 EP disclosed
US-5324860-A Process for 3,5-di-tert-butylsalicylaldehyde SEPRACOR, INC. (US) 1994-06-28 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP ESR1 874/4885ESR2 523/4885AR 2777/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP ESR1 874/4885ESR2 523/4885AR 2777/4885
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP ESR1 874/4885ESR2 523/4885AR 2777/4885
US-20140336106-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP ESR1 874/4885ESR2 523/4885AR 2777/4885
US-20130150376-A1 Novel Sultam Compounds SULT2A1, SULT1A1, SULT1E1 ESR1 2893/4885ESR2 1460/4885AR 1495/4885
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT ESR1 3479/4885ESR2 1757/4885AR 1123/4885

“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.