SCHEMBL9911957

SCHEMBL9911957

C/C=C/COC(=O)CCC(=O)CN

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HTR2C P28335 1/20 0.50
GABRR1 P24046 1/20 0.40
CYP1A2 P05177 1/20 0.34
TSHR P16473 2/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 2/20 0.31
BLM P54132 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL448049 0.85 ADRA2A (0.41) HTR2CCYP1A2TSHRADRA2AADRA1A
SCHEMBL9911950 0.85 HTR2C (0.51) KDM4ELMNAHTR2CGABRR1CYP1A2
Hydrochloric Acid SCHEMBL4158426 0.84 KDM4E (0.52) KDM4ELMNAHTR2CGABRR1CYP1A2
SCHEMBL2266822 0.84
SCHEMBL21416131 0.84
SCHEMBL28202831 0.84
SCHEMBL9911954 0.82 HTR2C (0.53) KDM4ELMNAHTR2CGABRR1CYP1A2
Hydrochloric Acid SCHEMBL4143640 0.81 HTR2C (0.51) KDM4ELMNAHTR2CGABRR1CYP1A2
Hydrochloric Acid SCHEMBL15562562 0.80 LMNA (0.47) KDM4ELMNAHTR2CGABRR1TSHR
SCHEMBL28832991 0.80 TSHR (0.35) HTR2CTSHRADRA2AADRA1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198325-B2 Unsaturated alkyl esters of 5-aminolevulinic acid, their preparation and their use INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2012-06-12 US disclosed
US-20090176881-A1 Unsaturated Alkyl Esters of 5-Aminolevulinic Acid, their Preparation and their Use INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-07-09 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 (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-20090176881-A1 Unsaturated Alkyl Esters of 5-Aminolevulinic Acid, their Preparation and their Use ALAD, ALOX5, SLC7A1 KDM4E 2283/4885LMNA 2675/4885HTR2C 1116/4885

“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.