SCHEMBL9960819

SCHEMBL9960819

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
XBP1 P17861 1/20 0.36
PTGS2 P35354 3/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
PTGS1 P23219 2/20 0.30
FABP2 P12104 1/20 0.30
AKR1C4 P17516 1/20 0.30

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
SCHEMBL9960701 0.76 CYP1A2 (0.36) LMNAMAPTATMPTGS2TSHR
SCHEMBL9960857 0.73 ALDH1A1 (0.39) TSHRCYP1A2HPGDPOLBALDH1A1
SCHEMBL9960632 0.72 ATM (0.36) ATMPTGS2TSHRCYP1A2POLB
SCHEMBL9960657 0.71 MEN1 (0.42) LMNATSHRCYP1A2POLBL3MBTL1
SCHEMBL4927480 0.70 EDNRA (0.35) MAPTTSHRCYP1A2POLBALDH1A1
SCHEMBL348322 0.68 HPGD (0.52) LMNASMN1; SMN2MAPTATMNPSR1
SCHEMBL8096697 0.66 CYP1A2 (0.39) LMNASMN1; SMN2MAPTPTGS2TSHR
SCHEMBL28806370 0.66 ELANE (0.41) SMN1; SMN2MAPTATMNPSR1TSHR
SCHEMBL9960737 0.65 POLB (0.38) MAPTTSHRCYP1A2POLBALDH1A1
SCHEMBL9960569 0.64 APEX1 (0.50) POLBEDNRBEDNRAAKR1C3

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 LMNA 1538/4885SMN1; SMN2 4085/4885MAPT 4684/4885

“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.