SCHEMBL3170686

SCHEMBL3170686

CC(=O)OC1CC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC18A3 Q16572 2/20 0.49
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC9A1 P19634 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HDAC4 P56524 1/20 0.43
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL8097764 0.85 HDAC4 (0.46) SMN1; SMN2NPSR1SLC9A1KDM4EHDAC4
SCHEMBL6249889 0.84 KDM1A (0.42) SLC18A3KDM1A
SCHEMBL11458171 0.83 HDAC4 (0.44) SMN1; SMN2NPSR1SLC9A1KDM4EHDAC4
SCHEMBL13834342 0.83 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1MAPK1TDP1HDAC4
SCHEMBL24658450 0.82 KDM1A (0.44) KDM1ASLC6A3
SCHEMBL14714313 0.81 ALDH1A1 (0.50) SMN1; SMN2NPSR1SLC9A1KDM4EHDAC4
SCHEMBL14714314 0.81 ALDH1A1 (0.50) SMN1; SMN2NPSR1SLC9A1KDM4EHDAC4
SCHEMBL6249011 0.81 GABRA1 (0.52) KDM1AMAPTHPGDSLC6A3
SCHEMBL7274841 0.81 FABP5 (0.57) SMN1; SMN2NPSR1SLC18A3KDM4E
SCHEMBL4193266 0.81 FABP5 (0.61) SMN1; SMN2NPSR1SLC18A3KDM4EHPGD

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
US-7648988-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-01-19 US disclosed
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases DOLLINGER HORST 2008-06-26 US disclosed
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 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 (2 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-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 SMN1; SMN2 2164/4885NPSR1 1216/4885SLC18A3 1503/4885
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 SMN1; SMN2 2164/4885NPSR1 1216/4885SLC18A3 1503/4885

“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.