SCHEMBL415951

SCHEMBL415951

COC(=O)CCCCCCC/C=C/CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
EPHX2 P34913 1/20 0.59
TSHR P16473 4/20 0.52
CNR2 P34972 1/20 0.51
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 2/20 0.47
OXER1 Q8TDS5 1/20 0.47
DGKA P23743 1/20 0.46
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKCA P17252 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6509486 1.00 ALDH1A1 (0.61) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL415952 1.00 ALDH1A1 (0.61) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL19996007 1.00 ALDH1A1 (0.61) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL19996008 1.00 ALDH1A1 (0.61) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL3694690 1.00 ALDH1A1 (0.61) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL6509484 1.00 ALDH1A1 (0.61) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL10198953 0.98 ALDH1A1 (0.58) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL9607106 0.95 ALDH1A1 (0.56) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL8611206 0.92 TSHR (0.56) ALDH1A1LMNAEPHX2TSHRCNR2
SCHEMBL8838716 0.92 TSHR (0.56) ALDH1A1LMNAEPHX2TSHRCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515885-B1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES UMICORE AG & CO KG (DE) 2023-12-13 EP disclosed
CN-109982995-B Preparation of amino acids and amino acid derivatives 优美科股份公司及两合公司 2022-09-30 CN disclosed
US-10774035-B2 Preparation of amino acids and amino acid derivatives UMICORE AG & CO. KG (DE) 2020-09-15 US disclosed
US-20190276388-A1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES UMICORE AG & CO KG (DE) 2019-09-12 US disclosed
US-10087137-B2 Cross metathesis approach to C11-C13 fatty-chain amino esters from oleic acid derivatives THE UNIVERSITY OF TOLEDO (US) 2018-10-02 US disclosed
EP-3281931-A1 METHODS OF MAKING ORGANIC COMPOUNDS BY METATHESIS Elevance Renewable Sciences, Inc. (US) 2018-02-14 EP disclosed
US-20170204051-A1 Cross Metathesis Approach to C11-C13 Fatty-Chain Amino Esters From Oleic Acid Derivatives THE UNIVERSITY OF TOLEDO (US) 2017-07-20 US disclosed
US-8455698-B2 Hydroxy- and aldehyde functional compounds EVONIK DEGUSSA GMBH (DE) 2013-06-04 US disclosed
US-8394996-B2 Method for producing aldehyde functional compounds EVONIK DEGUSSA GMBH (DE) 2013-03-12 US disclosed
US-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2012-01-26 US disclosed
US-20110198535-A1 HYDROXY- AND ALDEHYDE FUNCTIONAL COMPOUNDS EVONIC DEGUSSA GMBH (DE) 2011-08-18 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 (3 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-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS FASN, ALDH2, ALOX12 ALDH1A1 11/4885LMNA 1519/4885EPHX2 121/4885
US-20190276388-A1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES AADAT, BCAT1, BCAT2 ALDH1A1 911/4885LMNA 3915/4885EPHX2 3117/4885
US-10774035-B2 Preparation of amino acids and amino acid derivatives AADAT, BCAT1, BCAT2 ALDH1A1 911/4885LMNA 3915/4885EPHX2 3117/4885

“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.