SCHEMBL17368451

SCHEMBL17368451

C/C(=C\c1ncc(O)cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
APEX1 P27695 10/20 0.38
TBXAS1 P24557 8/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
NR4A2 P43354 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL21001877 0.79 AKR1C3 (0.52) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL21002161 0.79 AKR1C3 (0.52) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL21040574 0.79 AKR1C3 (0.52) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL641498 0.78 AKR1C3 (0.45) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL17368454 0.76 AKR1C3 (0.44) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL17368452 0.68 AKR1C3 (0.53) AKR1C3APEX1TBXAS1RXRARXRB
SCHEMBL83882 0.67 AKR1C3 (0.69) AKR1C3TBXAS1
SCHEMBL3418803 0.67 AKR1C3 (0.57) AKR1C3APEX1TBXAS1
SCHEMBL83883 0.67 AKR1C3 (0.69) AKR1C3TBXAS1
SCHEMBL8746648 0.67 AKR1C3 (0.57) AKR1C3APEX1TBXAS1

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-10308595-B2 Albicidin derivatives, their use and synthesis Technische Universität Berlin (DE) 2019-06-04 US disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 US disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 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-10308595-B2 Albicidin derivatives, their use and synthesis MB, ALB, BCAT2 AKR1C3 3026/4885APEX1 1664/4885TBXAS1 1875/4885
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 AKR1C3 3026/4885APEX1 1664/4885TBXAS1 1875/4885

“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.