SCHEMBL9911954

SCHEMBL9911954

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CNR1 P21554 1/20 0.40
TSHR P16473 2/20 0.37
GABRR1 P24046 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
MGLL Q99685 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.33
DGKA P23743 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Hydrochloric Acid SCHEMBL4143640 0.98 HTR2C (0.51) HTR2CKDM4ELMNAALDH1A1MAPT
SCHEMBL9911950 0.86 HTR2C (0.51) HTR2CKDM4ELMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL4158426 0.85 KDM4E (0.52) HTR2CKDM4ELMNAALDH1A1MAPT
SCHEMBL28448788 0.84 CNR1 (0.38) HTR2CALDH1A1MAPTTHRBCNR1
SCHEMBL9911957 0.82 KDM4E (0.52) HTR2CKDM4ELMNAALDH1A1MAPT
SCHEMBL873582 0.82 ALDH1A1 (0.44) ALDH1A1MAPTTHRBCNR1TSHR
SCHEMBL873581 0.82 ALDH1A1 (0.44) ALDH1A1MAPTTHRBCNR1TSHR
SCHEMBL9912813 0.80 MGLL (0.35) HTR2CALDH1A1MAPTTHRBCNR1
SCHEMBL1771111 0.79 TSHR (0.53) ALDH1A1MAPTTHRBCNR1TSHR
SCHEMBL2035970 0.79 TSHR (0.53) ALDH1A1MAPTTHRBCNR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032526-B1 UNSATURATED ALKYL ESTERS OF 5-AMINOLEVULINIC ACID, THEIR PREPARATION AND THEIR USE UNIV NAT CHONNAM IND FOUND (KR) 2012-10-10 EP disclosed
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 HTR2C 1116/4885KDM4E 2283/4885LMNA 2675/4885

“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.