SCHEMBL18174873

SCHEMBL18174873

COCc1cnc(C)c(OC(C)=O)c1COC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.36
PTPN1 P18031 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.31
F2 P00734 1/20 0.31
GLA P06280 1/20 0.31
PRKCE Q02156 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
SCHEMBL6266333 0.94 CA2 (0.46) CA2KDM4ELMNAPTPN1MAPT
Acetic Acid SCHEMBL6266322 0.91 CA2 (0.44) CA2KDM4ELMNAPTPN1MAPT
SCHEMBL15920335 0.90 CA2 (0.45) CA2KDM4ELMNAPTPN1MAPT
SCHEMBL18461167 0.89 CA2 (0.42) CA2KDM4EPTPN1MAPTALDH1A1
SCHEMBL3392720 0.89 CA2 (0.44) CA2KDM4ELMNAMAPTALDH1A1
SCHEMBL24451382 0.87 KDM4E (0.47) CA2KDM4ELMNAPTPN1MAPT
SCHEMBL3389623 0.87 CA2 (0.47) CA2KDM4ELMNAPTPN1MAPT
SCHEMBL11452068 0.87 CA2 (0.43) CA2KDM4ELMNAPTPN1MAPT
SCHEMBL20581805 0.87 CA2 (0.40) CA2KDM4EPTPN1MAPTALDH1A1
SCHEMBL18174527 0.87 CA2 (0.40) CA2KDM4EMAPTTP53

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-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

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 CA2 2420/4885KDM4E 3071/4885LMNA 1923/4885

“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.