SCHEMBL5769799

SCHEMBL5769799

COc1c2ccccc2cc2[nH]c3cccc(C(=O)O)c3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
CDC25B P30305 3/20 0.46
DHODH Q02127 2/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43

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
SCHEMBL5771510 0.76 MEN1 (0.40) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5769828 0.74 CCR2 (0.47) CDC25BKDM4EALDH1A1HSD17B10
SCHEMBL30749415 0.74 PARP1 (0.73) PARP1CDC25BKDM4EALDH1A1HPGD
SCHEMBL30455376 0.74 PARP1 (0.73) PARP1CDC25BKDM4EALDH1A1HPGD
SCHEMBL2183473 0.74 PARP1 (0.73) PARP1CDC25BKDM4EALDH1A1HPGD
SCHEMBL25295170 0.72 HPGD (0.55) CDC25BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3117234 0.72 HPGD (0.55) CDC25BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10584881 0.71 KDM4E (0.77) CDC25BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10526864 0.70 PBRM1 (0.67) PARP1KDM4EALDH1A1HPGDABCG2
SCHEMBL8633602 0.70 KDM4E (0.50) PARP1CDC25BDHODHKDM4EHPGD

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
EP-1349836-B1 TETRACYCLIC DERIVATIVES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2006-06-14 EP disclosed
US-6992100-B2 sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2006-01-31 US disclosed
US-20040092543-A1 Novel spla2 inhibitors BEIGHT DOUGLAS WADE (US) 2004-05-13 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-20040092543-A1 Novel spla2 inhibitors PLA2G12A, PLAAT2, SPINT2 PARP1 3452/4885CDC25B 3647/4885DHODH 2333/4885

“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.