SCHEMBL12249331

SCHEMBL12249331

Cc1c(C)c(C)c(-c2oc3c(C)c(C)c(C)c(C)c3c(=O)c2C)c(C)c1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALOX5 P09917 2/20 0.30

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
SCHEMBL14134418 0.84 ADORA3 (0.32) ALOX5
SCHEMBL14878224 0.75 — —
SCHEMBL14286794 0.75 ALOX5 (0.37) CYP2C19ALOX5
SCHEMBL14733766 0.71 — —
SCHEMBL16576817 0.69 KDM4E (0.30) KDM4E
SCHEMBL31155758 0.69 KDM4E (0.40) KDM4ECYP1A2GAACYP2C19
SCHEMBL12558040 0.69 KDM4E (0.40) KDM4ECYP1A2GAACYP2C19
SCHEMBL12440785 0.69 — —
SCHEMBL15423096 0.67 ESR2 (0.38) KDM4ECYP1A2GAACYP2C19
SCHEMBL16546136 0.67 NQO2 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466311-B2 Neuroprotective compositions and methods SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-06-18 — — US disclosed
US-20120296112-A1 Neuroprotective Compositions and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 — — US disclosed
US-8022246-B2 Neuroprotective compositions and methods THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-09-20 — — US disclosed
US-7947733-B2 Phosphorylated pyrone analogs and methods LIMERICK BIOPHARMA (US) 2011-05-24 — — US disclosed
US-20100204089-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. 2010-08-12 — — US disclosed
US-20100144612-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. 2010-06-10 — — US disclosed
US-20090069273-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. 2009-03-12 — — US disclosed
US-20090042980-A1 Neuroprotective compositions and methods BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-12 — — 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-20090042980-A1 Neuroprotective compositions and methods KEAP1, NFE2L2, NQO1 KDM4E 3648/4885CYP1A2 3481/4885GAA 3689/4885
US-20090069273-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS PCK1, PC, PCK2 KDM4E 1623/4885CYP1A2 832/4885GAA 2675/4885
US-20120296112-A1 Neuroprotective Compositions and Methods KEAP1, NFE2L2, NQO1 KDM4E 3648/4885CYP1A2 3481/4885GAA 3689/4885
US-20100144612-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS PCK1, PC, PCK2 KDM4E 1623/4885CYP1A2 832/4885GAA 2675/4885
US-20100204089-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS PCK1, PC, PCK2 KDM4E 1623/4885CYP1A2 832/4885GAA 2675/4885

“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.

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