SCHEMBL9960749

SCHEMBL9960749

O=C(O)C(C1=CC(O)c2ccccc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.36
CYP1A2 P05177 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9960707 0.79 ALDH1A1 (0.35) CYP1A2EDNRBEDNRAHDAC3HDAC4
SCHEMBL9960826 0.75 LTB4R (0.36) CYP1A2TSHRALDH1A1
SCHEMBL9960856 0.74 PKM (0.33) CYP1A2EDNRBEDNRATSHRALDH1A1
SCHEMBL9960728 0.74 PKM (0.33) CYP1A2EDNRBEDNRATSHRALDH1A1
SCHEMBL9960644 0.70 KEAP1 (0.39) KEAP1NFE2L2MEN1KMT2A
SCHEMBL45520 0.70 CYP1A2 (0.56) KCNN4CYP1A2NPSR1KEAP1NFE2L2
SCHEMBL7880822 0.68 CYP1A2 (0.54) KCNN4CYP1A2NPSR1KEAP1NFE2L2
SCHEMBL10403424 0.68 CYP1A2 (0.54) KCNN4CYP1A2NPSR1KEAP1NFE2L2
SCHEMBL10909643 0.68 CYP1A2 (0.54) KCNN4CYP1A2NPSR1KEAP1NFE2L2
SCHEMBL11522471 0.68 CYP1A2 (0.54) KCNN4CYP1A2NPSR1KEAP1NFE2L2

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 8 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
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
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 KCNN4 1435/4885CYP1A2 1483/4885NPSR1 1517/4885

“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.