SCHEMBL9960569

SCHEMBL9960569

CC(=CC1=CC(O)c2ccccc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 8/20 0.50
AKR1C3 P42330 1/20 0.47
POLB P06746 1/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NR4A2 P43354 1/20 0.35
RXRG P48443 1/20 0.35
HTT P42858 1/20 0.34
CYP2C9 P11712 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 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
SCHEMBL9960776 0.79 MAPT (0.36) APEX1POLB
SCHEMBL616045 0.76 SLC22A12 (0.39) APEX1AKR1C3POLBCYP2C9
SCHEMBL458928 0.76 SLC22A12 (0.39) APEX1AKR1C3POLBCYP2C9
SCHEMBL4911340 0.74 HCAR2 (0.44) HTTCYP2C9EDNRBEDNRA
SCHEMBL9960737 0.70 POLB (0.38) AKR1C3POLBEDNRBEDNRA
SCHEMBL7764991 0.69 AKR1C3 (0.61) APEX1AKR1C3RXRARXRBNR4A2
SCHEMBL7764986 0.69 AKR1C3 (0.61) APEX1AKR1C3RXRARXRBNR4A2
SCHEMBL5482288 0.68 POLB (0.46) APEX1AKR1C3POLBCYP2C9
SCHEMBL5869639 0.68 POLB (0.46) APEX1AKR1C3POLBCYP2C9
SCHEMBL9960738 0.67 POLB (0.35) POLBEDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US claimed
CN-103443066-A Ingenol-3-acylates I LEO LABORATIRIES LTD 2013-12-11 CN claimed
US-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US claimed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 WO claimed
US-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US disclosed
CN-103443066-A Ingenol-3-acylates I LEO LABORATIRIES LTD 2013-12-11 CN disclosed
US-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US disclosed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 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-20130324600-A1 INGENOL-3-ACYLATES I CXCL8, MMP8, CASP8 APEX1 414/4885AKR1C3 70/4885POLB 3046/4885

“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.