SCHEMBL4570827

SCHEMBL4570827

CCOc1cc(C)c(C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
LTA4H P09960 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PLK1 P53350 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 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
SCHEMBL19885259 0.82 NQO1 (0.48) NQO1TDP1TSHRTP53CYP3A4
SCHEMBL27943128 0.80 NQO1 (0.46) NQO1TDP1TSHRTP53CYP3A4
SCHEMBL27688802 0.80 NQO1 (0.46) NQO1TDP1TSHRTP53CYP3A4
SCHEMBL18071781 0.80 NQO1 (0.46) NQO1TDP1TSHRTP53CYP3A4
SCHEMBL5079355 0.80 ESR1 (0.46) NQO1TDP1TSHRTP53CYP3A4
SCHEMBL12925858 0.80 GPR84 (0.44) TSHRTP53GPR84LTA4HMAPT
SCHEMBL12126699 0.80 MCL1 (0.53) NQO1TSHRTP53ALDH1A1HPGD
SCHEMBL1401588 0.80 TSHR (0.48) NQO1TDP1TSHRTP53CYP3A4
SCHEMBL22780338 0.80 ALDH1A1 (0.53) NQO1TDP1TSHRTP53CYP3A4
SCHEMBL1683212 0.80 NQO1 (0.65) NQO1TDP1TSHRTP53CYP3A4

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-09-15 US disclosed
US-9315542-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9309283-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-12 US disclosed
US-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors ONYX THERAPEUTICS, INC. 2014-04-17 US disclosed
EP-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed
US-8173628-B2 Therapy for hormone sensitive diseases; side effect reduction; anticancer agents; osteoporosis; endometriosis; benign prostatic hyperplasia; cardiovascular disorders; acne NORTHEASTERN UNIVERSITY (US) 2012-05-08 US disclosed
US-8173628-B2 Therapy for hormone sensitive diseases; side effect reduction; anticancer agents; osteoporosis; endometriosis; benign prostatic hyperplasia; cardiovascular disorders; acne NORTHEASTERN UNIVERSITY (US) 2012-05-08 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-8026273-B2 8-azaprostaglandin derivative compound and agent comprising the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-09-27 US disclosed
US-8026273-B2 8-azaprostaglandin derivative compound and agent comprising the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-09-27 US disclosed
EP-1597242-B1 HIV INHIBITING 1,2,4-TRIAZINES JANSSEN PHARMACEUTICA NV (BE) 2008-07-23 EP disclosed
US-7402605-B2 8-azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-7402605-B2 8-azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NORTHEASTERN UNIVERSITY 2008-07-10 US disclosed
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NORTHEASTERN UNIVERSITY 2008-07-10 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-7294728-B2 Lipoxin compounds and their use in treating cell proliferative disorders SERHAN CHARLES N 2007-11-13 US disclosed
US-7288569-B2 Lipoxin compounds and their use in treating cell proliferative disorders THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-10-30 US disclosed
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection BMO BANK N.A., AS ADMINISTRATIVE AGENT 2007-02-15 US disclosed
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection BMO BANK N.A., AS ADMINISTRATIVE AGENT 2007-02-15 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 (5 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 NQO1 1047/4885TDP1 3833/4885TSHR 231/4885
US-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors PREP, VIP, PEPD NQO1 1981/4885TDP1 2375/4885TSHR 3808/4885
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD NQO1 1981/4885TDP1 2375/4885TSHR 3808/4885
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection REV1, CCNI, MCM6 NQO1 1312/4885TDP1 2151/4885TSHR 4879/4885
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NR5A1, SHBG, AR NQO1 3566/4885TDP1 3976/4885TSHR 547/4885

“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.