SCHEMBL60448

SCHEMBL60448

CCCCCCCCC(C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.60
BCL9 O00512 1/20 0.55
CTNNB1 P35222 1/20 0.55
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
HTR2A P28223 1/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL7075032 1.00 MGLL (0.60) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL7073161 1.00 MGLL (0.60) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL28063044 1.00 MGLL (0.60) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL29277468 0.99 MGLL (0.57) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL531154 0.88 MAPT (0.65) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL11063253 0.88 MGLL (0.61) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL11064813 0.88 MGLL (0.61) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL11060689 0.88 MGLL (0.61) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL28497167 0.86 MGLL (0.58) MGLLBCL9CTNNB1MAPTL3MBTL1
SCHEMBL28120256 0.84 MGLL (0.56) MGLLBCL9CTNNB1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361531-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS AGAIN BIO APS (DK) 2025-11-27 US disclosed
US-12312627-B2 Microorganisms and methods for production of 4-hydroxybutyrate, 1,4-butanediol and related compounds GENOMATICA, INC. (US) 2025-05-27 US disclosed
EP-4414451-A2 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4 HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS Genomatica, Inc. (US) 2024-08-14 EP disclosed
EP-2989113-B1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS GENOMATICA INC (US) 2024-04-10 EP disclosed
US-11932845-B2 Microorganisms and methods for production of 4-hydroxybutyrate, 1,4-butanediol and related compounds GENOMATICA, INC. (US) 2024-03-19 US disclosed
EP-4321615-A2 ORGANISMS FOR THE PRODUCTION OF 1,3-BUTANEDIOL Genomatica, Inc. (US) 2024-02-14 EP disclosed
EP-3865569-B1 ORGANISMS FOR THE PRODUCTION OF 1,3-BUTANEDIOL GENOMATICA INC (US) 2023-10-04 EP disclosed
US-11708589-B2 Microorganisms for producing 1,3-butanediol and methods related thereto GENOMATICA INC. (US) 2023-07-25 US disclosed
US-20230065295-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS GENOMATICA INC (US) 2023-03-02 US disclosed
US-11572564-B2 Microorganisms for producing 1,4-butanediol and methods related thereto GENOMATICA, INC. (US) 2023-02-07 US disclosed
WO-2010127319-A2 ORGANISMS FOR THE PRODUCTION OF 1,3-BUTANEDIOL GENOMATICA, INC. (US) 2010-11-04 WO disclosed
WO-2010127303-A1 ORGANISMS FOR THE PRODUCTION OF ISOPROPANOL, N-BUTANOL, AND ISOBUTANOL GENOMATICA, INC. (US) 2010-11-04 WO disclosed
US-20100112654-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AGAIN BIO APS (DK) 2010-05-06 US disclosed
WO-2010030711-A2 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA, INC. (US) 2010-03-18 WO disclosed
EP-1478760-A4 ESTERASES WITH LIPASE ACTIVITY COMMW SCIENT IND RES ORG (AU) 2005-12-28 EP disclosed
US-20050176118-A1 Esterases with lipase activity COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-08-11 US disclosed
EP-1478760-A1 ESTERASES WITH LIPASE ACTIVITY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-11-24 EP disclosed
WO-2003066873-A1 ESTERASES WITH LIPASE ACTIVITY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-08-14 WO disclosed
EP-1002100-A2 METHOD FOR PRODUCING AND IDENTIFYING NEW HYDROLASES HAVING IMPROVED PROPERTIES Studiengesellschaft Kohle mbH (DE) 2000-05-24 EP disclosed
WO-1999005288-A2 METHOD FOR PRODUCING AND IDENTIFYING NEW HYDROLASES HAVING IMPROVED PROPERTIES STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-02-04 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 (1 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-20250361531-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS HSD17B10, HSD17B12, HADHB MGLL 747/4885BCL9 4776/4885CTNNB1 2456/4885

“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.