SCHEMBL3192237

SCHEMBL3192237

COCCCOCc1cccc(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAAA Q02083 1/20 0.38
ENPP2 Q13822 2/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
GBA1 P04062 2/20 0.34
LCT P09848 2/20 0.34
SI P14410 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
CHRM3 P20309 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL17733685 0.91 TDP1 (0.42) TDP1L3MBTL1NAAAENPP2IDO1
SCHEMBL9479894 0.82 PLA2G4B (0.47) MRGPRX4TDP1L3MBTL1
SCHEMBL21968364 0.81 IDO1 (0.53) TDP1L3MBTL1CHRM3IDO1LMNA
SCHEMBL661713 0.81 CYP4F2 (0.44) MRGPRX4ENPP2CYP4F2CYP4A11PRSS1
SCHEMBL6782118 0.81 MRGPRX4 (0.44) MRGPRX4ENPP2CYP4F2CYP4A11PRSS1
SCHEMBL23640522 0.80 IDO1 (0.57) TDP1L3MBTL1CHRM3IDO1AGXT
SCHEMBL2567350 0.80 MRGPRX4 (0.49) MRGPRX4ENPP2CYP4F2CYP4A11PRSS1
SCHEMBL6667804 0.80 MRGPRX4 (0.51) MRGPRX4ENPP2CYP4F2CYP4A11PRSS1
SCHEMBL2811503 0.79 CYP4F2 (0.46) ENPP2CYP4F2CYP4A11CHRM3KDM4E
SCHEMBL8263369 0.79 DAO (0.40) TDP1L3MBTL1GBA1UGCGGBA2

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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 MRGPRX4 456/4885TDP1 3607/4885L3MBTL1 4797/4885

“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.