SCHEMBL4457699

SCHEMBL4457699

c1ccc2oc(C3CCCC3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 7/20 0.57
HTR2B P41595 1/20 0.52
THRB P10828 2/20 0.49
USP2 O75604 1/20 0.49
EPHX1 P07099 1/20 0.47
EPHX2 P34913 1/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1128181 0.98 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14895871 0.96 LMNA (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL26862272 0.92 LMNA (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL23411036 0.86 LMNA (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29891587 0.86 LMNA (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3120801 0.86 LMNA (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL373400 0.84 MPO (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL26295449 0.84 LMNA (0.53) ALDH1A1LMNAHTR2BTHRBUSP2
SCHEMBL3196713 0.84 LMNA (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3196725 0.84 LMNA (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA

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 20 patents. 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
US-11214817-B2 Alkane oxidation by modified hydroxylases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-01-04 US disclosed
EP-3755383-B1 TRICARBONYL COMPLEXES OF TRANSITION METALS WITH BENZO-HETEROCYCLIC DERIVATIVES OF THE CYCLOPENTADIENYL ANION NATIONAL CENTER FOR SCIENT RESEARCH DEMOKRITOS (GR) 2021-08-18 EP disclosed
US-20200399662-A1 ALKANE OXIDATION BY MODIFIED HYDROXYLASES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-12-24 US disclosed
US-10648006-B2 Alkane oxidation by modified hydroxylases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-05-12 US disclosed
WO-2019180200-A1 TRICARBONYL COMPLEXES OF TRANSITION METALS WITH BENZO-HETEROCYCLIC DERIVATIVES OF THE CYCLOPENTADIENYL ANION NATIONAL CENTRE FOR SCIENTIFIC RESEARCH "DEMOKRITOS" (GR) 2019-09-26 WO disclosed
US-20180273983-A1 ALKANE OXIDATION BY MODIFIED HYDROXYLASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-09-27 US disclosed
US-9963720-B2 Alkane oxidation by modified hydroxylases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-08 US disclosed
US-20170183689-A1 ALKANE OXIDATION BY MODIFIED HYDROXYLASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-06-29 US disclosed
US-9404096-B2 Alkane oxidation by modified hydroxylases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-02 US disclosed
US-20160024482-A1 ALKANE OXIDATION BY MODIFIED HYDROXYLASES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-01-28 US disclosed
US-9074178-B2 Alkane oxidation by modified hydroxylases THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-07-07 US disclosed
US-20150004668-A1 ALKANE OXIDATION BY MODIFIED HYDROXYLASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-01-01 US disclosed
US-8715988-B2 Alkane oxidation by modified hydroxylases CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-05-06 US disclosed
EP-2121907-A2 ALKANE OXIDATION BY MODIFIED HYDROXYLASES The California Institute of Technology (US) 2009-11-25 EP disclosed
WO-2008098198-A2 ALKANE OXIDATION BY MODIFIED HYDROXYLASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-08-14 WO disclosed
EP-1899471-A2 ALKANE OXIDATION BY MODIFIED HYDROXYLASES The California Institute of Technology (US) 2008-03-19 EP disclosed
US-20080057577-A1 Oxidoreductase which catalyzes conversion of alkanes to alcohol CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-03-06 US disclosed
WO-2006105082-A2 ALKANE OXIDATION BY MODIFIED HYDROXYLASES THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-10-05 WO 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-20080057577-A1 Oxidoreductase which catalyzes conversion of alkanes to alcohol ADH5, ADH1C, ADH1A RAB9A 4172/4885NPC1 3430/4885ALDH1A1 22/4885
US-20220112524-A1 ALKANE OXIDATION BY MODIFIED HYDROXYLASES ALKBH3, ALKBH2, EGLN3 RAB9A 4237/4885NPC1 2279/4885ALDH1A1 44/4885
US-20200399662-A1 ALKANE OXIDATION BY MODIFIED HYDROXYLASES ALKBH3, ALKBH2, EGLN3 RAB9A 4237/4885NPC1 2279/4885ALDH1A1 44/4885
US-12258605-B2 Alkane oxidation by modified hydroxylases ALKBH3, ALKBH2, EGLN3 RAB9A 4237/4885NPC1 2279/4885ALDH1A1 44/4885
US-11214817-B2 Alkane oxidation by modified hydroxylases ALKBH3, ALKBH2, EGLN3 RAB9A 4237/4885NPC1 2279/4885ALDH1A1 44/4885
US-10648006-B2 Alkane oxidation by modified hydroxylases ALKBH3, ALKBH2, EGLN3 RAB9A 4237/4885NPC1 2279/4885ALDH1A1 44/4885

“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.