SCHEMBL635539

SCHEMBL635539

COc1ccc2cc(C(=O)O)c(CC(=O)O)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
SLC16A3 O15427 1/20 0.50
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 7/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 4/20 0.48
POLB P06746 2/20 0.48
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL17967333 0.89 SLC16A3 (0.48) PTGS1AKR1C3AKR1C2SLC16A3ALDH1A1
SCHEMBL7064360 0.80 KDM4E (0.52) AKR1C3AKR1C2SLC16A3ALDH1A1KDM4E
SCHEMBL28532626 0.80 KDM4E (0.52) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31055812 0.80 KDM4E (0.52) AKR1C3AKR1C2SLC16A3ALDH1A1KDM4E
SCHEMBL2945200 0.80 ALDH1A1 (0.67) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20474255 0.78 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL621720 0.78 KDM4E (0.58) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4489484 0.78 TDP1 (0.50) PTGS1AKR1C3AKR1C2SLC16A3ALDH1A1
SCHEMBL4487533 0.77 KDM4E (0.45) PTGS1AKR1C3AKR1C2SLC16A3ALDH1A1
SCHEMBL4495043 0.76 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EHPGDHSD17B10

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
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 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-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI PTGS1 616/4885AKR1C3 1813/4885AKR1C2 1585/4885

“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.