SCHEMBL8512571

SCHEMBL8512571

O=C(O)C(O)=CC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.50
CYP1B1 Q16678 4/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MAOB P27338 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
SRD5A2 P31213 1/20 0.47
PTPN1 P18031 2/20 0.46
KIF11 P52732 4/20 0.46
P4HB P07237 1/20 0.45
CYP2C8 P10632 1/20 0.44
AKR1C3 P42330 1/20 0.43
GSK3B P49841 2/20 0.42

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
SCHEMBL9101487 1.00 CYP1A1 (0.50) CYP1A1CYP1B1NR4A1NR4A2NR4A3
SCHEMBL19385627 0.95 NR4A1 (0.54) CYP1A1CYP1B1NR4A1NR4A2NR4A3
SCHEMBL19385642 0.95 NR4A1 (0.54) CYP1A1CYP1B1NR4A1NR4A2NR4A3
SCHEMBL24249396 0.80 SMN1; SMN2 (0.50) CYP1A1CYP1B1PTPN1GSK3B
SCHEMBL15489063 0.80 NPSR1 (0.49) CYP1A1CYP1B1NR4A1NR4A2NR4A3
SCHEMBL17077250 0.80 NR4A1 (0.50) CYP1A1CYP1B1NR4A1NR4A2NR4A3
SCHEMBL15556233 0.80 NR4A1 (0.50) CYP1A1CYP1B1NR4A1NR4A2NR4A3
SCHEMBL17077251 0.80 NR4A1 (0.50) CYP1A1CYP1B1NR4A1NR4A2NR4A3
SCHEMBL13864065 0.79 NFE2L2 (0.59) CYP1A1CYP1B1NR4A1NR4A2NR4A3
SCHEMBL8534180 0.78 CYP1A1 (0.46) CYP1A1CYP1B1NR4A1NR4A2NR4A3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642856-B1 INTEGRIN-LINKED KINASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2017-07-19 EP disclosed
US-8658647-B2 Integrin-linked kinase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-02-25 US disclosed
EP-2642856-A1 INTEGRIN-LINKED KINASE INHIBITORS The Ohio State University Research Foundation (US) 2013-10-02 EP disclosed
US-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-07 US disclosed
WO-2012071310-A1 INTEGRIN-LINKED KINASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-31 WO 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-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS PTK2, ITGB1, ITGB2 CYP1A1 4727/4885CYP1B1 4318/4885NR4A1 3768/4885

“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.