SCHEMBL450745

SCHEMBL450745

COc1cccc(OC)c1CN(CCO)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BCHE P06276 8/20 0.43
S1PR1 P21453 1/20 0.42
LPAR1 Q92633 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KCNA5 P22460 1/20 0.41
HCRTR2 O43614 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL449063 0.93 S1PR1 (0.44) ACHEL3MBTL1BCHES1PR1ALDH1A1
SCHEMBL452122 0.89 TSHR (0.50) ACHEBCHEALDH1A1TSHRMAOA
SCHEMBL452358 0.89 TDP1 (0.49) L3MBTL1BCHEALDH1A1TSHRTDP1
SCHEMBL448844 0.89 BCHE (0.51) BCHE
SCHEMBL453756 0.89 L3MBTL1 (0.45) ACHEL3MBTL1BCHES1PR1LPAR1
SCHEMBL451613 0.88 HTT (0.49) BCHES1PR1KCNA5MAOB
SCHEMBL448608 0.88 NR1H3 (0.50) ACHEL3MBTL1BCHES1PR1HCRTR2
SCHEMBL450630 0.88 ACHE (0.46) ACHEL3MBTL1BCHES1PR1ALDH1A1
SCHEMBL447899 0.87 BCHE (0.46) ACHEBCHETSHRKCNA5
SCHEMBL448898 0.87 MEN1 (0.53) ACHEL3MBTL1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
EP-2463374-A2 Isolated alcohol dehydrogenase enzymes and uses thereof Bio Architecture Lab, Inc. (US) 2012-06-13 EP claimed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
US-11821047-B2 High pressure zone formation for pretreatment Apalta Patent OÜ (EE) 2023-11-21 US disclosed
US-20230295678-A1 RAPID PRETREATMENT Apalta Patents OÜ (EE) 2023-09-21 US disclosed
EP-4098750-A1 RAPID PRETREATMENT Sweetwater Energy, Inc. (US) 2022-12-07 EP disclosed
EP-3230463-B1 RAPID PRETREATMENT SWEETWATER ENERGY INC (US) 2022-05-25 EP disclosed
US-11332723-B2 Engineered microorganisms for production of commodity chemicals and cellular biomass THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-17 US disclosed
US-20210040524-A1 RAPID PRETREATMENT APALTA TEHNOLOOGIA OÜ (EE) 2021-02-11 US disclosed
US-10844413-B2 Rapid pretreatment SWEETWATER ENERGY, INC. (US) 2020-11-24 US disclosed
US-20190218527-A1 Engineered Microorganisms for Production of Commodity Chemicals and Cellular Biomass THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-18 US disclosed
US-20100279354-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS EVOLUGATE, LLC (US) 2010-11-04 US disclosed
US-20100268000-A1 Compositions and Methods for Fermentation of Biomass QTEROS, INC. (US) 2010-10-21 US disclosed
US-20100086981-A1 COMPOSITIONS AND METHODS FOR IMPROVED SACCHARIFICATION OF BIOMASS QTEROS, INC. (US) 2010-04-08 US disclosed
US-20090203089-A1 ISOLATED ALCOHOL DEHYDROGENASE ENZYMES AND USES THEREOF BIO ARCHITECTURE LAB, INC. (US) 2009-08-13 US disclosed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US disclosed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP 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-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 ACHE 4142/4885L3MBTL1 2190/4885BCHE 3570/4885
US-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA ACHE 717/4885L3MBTL1 4522/4885BCHE 105/4885

“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.