Sugi Predict

Sugi Predict / Compounds / SCHEMBL93219

SCHEMBL93219

SCHEMBL93219

O=C(O)CCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ PPARA Q07869 2/20 0.55
▸ LTB4R Q15722 1/20 0.55
▸ DRD2 P14416 1/20 0.55
▸ DRD4 P21917 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ KCNH2 Q12809 1/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ SERPINE1 P05121 1/20 0.53
▸ ALB P02768 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL831256 1.00 MAPT (0.58) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL4832130 1.00 MAPT (0.58) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL28536387 1.00 MAPT (0.58) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL4612581 0.98 MAPT (0.57) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL4656215 0.94 DRD2 (0.57) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL3032142 0.89 MAPT (0.61) MAPTL3MBTL1CRHBPCRHR2DRD2
SCHEMBL10554981 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL9570561 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL10556391 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2
SCHEMBL5390369 0.87 HRH3 (0.69) MAPTL3MBTL1HRH3CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258605-B2 Alkane oxidation by modified hydroxylases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-03-25 — — US disclosed
US-20220112524-A1 ALKANE OXIDATION BY MODIFIED HYDROXYLASES CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-04-14 — — US disclosed
EP-2611912-B1 NOVEL MONOOXYGENASE VARIANTS BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2016-11-02 — — EP disclosed
US-9322001-B2 Cytochrome P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-04-26 — — US disclosed
US-20140322792-A1 CYTOCHROME P450 OXYGENASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-30 — — US disclosed
US-8722371-B2 Cytochrome P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-05-13 — — US disclosed
US-8603949-B2 Libraries of optimized cytochrome P450 enzymes and the optimized P450 enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-12-10 — — US disclosed
US-20130288324-A1 CYTOCHROME P450 OXYGENASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-10-31 — — US disclosed
EP-2611912-A2 NOVEL MONOOXYGENASE VARIANTS B.R.A.I.N. Biotechnology Research and Information Network AG (DE) 2013-07-10 — — EP disclosed
US-8367386-B2 Cytochrome P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-02-05 — — US disclosed
EP-2426198-A1 Cytochrome P450 monooxygenase variants B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2012-03-07 — — EP disclosed
US-8076114-B2 Cytochrome P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-12-13 — — US disclosed
US-20100248327-A1 CYTOCHROME P450 OXYGENASES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-09-30 — — US disclosed
US-7691616-B2 Enzymatic polypeptide for use in the oxidation of alkanes and alkenes of eight or less carbons and are resistant to organic solvents CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-04-06 — — US disclosed
US-20080293928-A1 Cytochrom P450 oxygenases CALIFORNIA INSTITUTE OF TECHNOLOGY 2008-11-27 — — US disclosed
US-20080268517-A1 STABLE, FUNCTIONAL CHIMERIC CYTOCHROME P450 HOLOENZYMES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-10-30 — — US disclosed
WO-2008115844-A2 STABLE, FUNCTIONAL CHIMERIC CYTOCHROME P450 HOLOENZYMES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-09-25 — — WO disclosed
US-7226768-B2 Enzymetic polypeptide for use in the oxidation of alkanes and alkenes of eight or less carbons THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-05 — — US disclosed
US-20050059045-A1 Labraries of optimized cytochrome P450 enzymes and the optimized P450 enzymes CALIFORNIA INSITUTE OF TECHNOLOGY 2005-03-17 — — US disclosed
US-20030100744-A1 Enzymetic polypeptide for use in the oxidation of alkanes and alkenes of eight or less carbons CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-05-29 — — 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 (2 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-20220112524-A1 ALKANE OXIDATION BY MODIFIED HYDROXYLASES ALKBH3, ALKBH2, EGLN3 MAPT 4769/4885L3MBTL1 1420/4885HRH3 485/4885
US-12258605-B2 Alkane oxidation by modified hydroxylases ALKBH3, ALKBH2, EGLN3 MAPT 4769/4885L3MBTL1 1420/4885HRH3 485/4885

“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.