SCHEMBL18174526

SCHEMBL18174526

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.52
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
PTGS2 P35354 1/20 0.52
PDE4D Q08499 1/20 0.52
EPHX2 P34913 3/20 0.50
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKCA P17252 1/20 0.47
FAAH O00519 4/20 0.47
ALDH1A1 P00352 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL18227895 1.00 NR1I2 (0.52) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL29808488 0.87 ADORA3 (0.68) NR1I2PGRADORA3PTGS2PDE4D
Glycerol Phenylbutyrate SCHEMBL10102804 0.84 ADRB2 (0.56) FAAHALDH1A1TDP1ADRB2ADRB1
SCHEMBL3784212 0.83 ALDH1A1 (0.56) PRKCEPRKCQPRKCDPRKCAFAAH
SCHEMBL1892709 0.83 ALDH1A1 (0.56) PRKCEPRKCQPRKCDPRKCAFAAH
SCHEMBL23771557 0.82 PRKCA (0.65) EPHX2PRKCEPRKCQPRKCDPRKCA
SCHEMBL31210188 0.82 FAAH (0.69) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL17667964 0.82 ALDH1A1 (0.69) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL17133147 0.82 ALDH1A1 (0.69) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL17667965 0.82 ALDH1A1 (0.69) NR1I2PGRADORA3PTGS2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016181199-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT MOHAN M ALAPATI (IN) 2016-11-17 WO disclosed
US-20160332950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT ALAPATI MOHAN MURALI (IN) 2016-11-17 US disclosed
US-20160332950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT ALAPATI MOHAN MURALI (IN) 2016-11-17 US disclosed
US-9475747-B1 Compositions and methods for the treatment of urea cycle disorders and gout ALAPATI MOHAN MURALI (IN) 2016-10-25 US disclosed
US-9475747-B1 Compositions and methods for the treatment of urea cycle disorders and gout ALAPATI MOHAN MURALI (IN) 2016-10-25 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-20160332950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT SLC14A1, UMPS, UGT1A3 NR1I2 86/4885PGR 3019/4885ADORA3 1721/4885

“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.