SCHEMBL3832066

SCHEMBL3832066

O=C(O)C(=O)c1cccc2ccoc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
LCLAT1 Q6UWP7 1/20 0.39
RORC P51449 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHODH Q02127 1/20 0.34
CDC25B P30305 1/20 0.33
KEAP1 Q14145 1/20 0.33
MAOA P21397 1/20 0.33
PARP1 P09874 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
SCHEMBL3247729 0.85 NR4A1 (0.48) PTPN1LCLAT1RORCNR4A1NR4A2
Oxalic Acid SCHEMBL20968881 0.82 PARP1 (0.44) LCLAT1HSD17B10PARP1
SCHEMBL2260799 0.81 LCLAT1 (0.39) LCLAT1POLB
SCHEMBL3791164 0.79 MAOB (0.44) LCLAT1RORCHSD17B10MAOA
SCHEMBL28059597 0.79 LCLAT1 (0.40) PTPN1LCLAT1RORCNR4A1NR4A2
SCHEMBL23175896 0.79 LCLAT1 (0.40) LCLAT1RORCNR4A1NR4A2NR4A3
SCHEMBL3792765 0.79 KDM4E (0.46) LCLAT1HSD17B10PARP1
Hydrochloric Acid SCHEMBL29384863 0.78 KDM4E (0.44) LCLAT1HSD17B10PARP1
Water SCHEMBL27300807 0.78 KDM4E (0.44) LCLAT1HSD17B10PARP1
Hydrochloric Acid SCHEMBL28191751 0.78 KDM4E (0.44) LCLAT1HSD17B10PARP1

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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PTPN1 974/4885LCLAT1 1948/4885RORC 1826/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PTPN1 974/4885LCLAT1 1948/4885RORC 1826/4885

“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.