SCHEMBL9960632

SCHEMBL9960632

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
KMT2A Q03164 1/20 0.30
PTGS2 P35354 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 0.80 CYP1A2 (0.36) ATMCYP1A2TSHRPOLBEDNRB
SCHEMBL9960657 0.75 MEN1 (0.42) L3MBTL1CYP1A2TSHRPOLBKMT2A
SCHEMBL9960819 0.72 LMNA (0.36) ATML3MBTL1CYP1A2TSHRALDH1A1
SCHEMBL9960857 0.72 ALDH1A1 (0.39) CYP1A2TSHRALDH1A1POLBHSD17B10
SCHEMBL9960707 0.70 ALDH1A1 (0.35) CYP1A2TSHRALDH1A1POLBHBB
SCHEMBL17357501 0.67 L3MBTL1 (0.61) ATML3MBTL1KMT2APTGS2
SCHEMBL66018 0.67 L3MBTL1 (0.61) ATML3MBTL1KMT2APTGS2
SCHEMBL9960728 0.66 PKM (0.33) CYP1A2TSHRALDH1A1POLBHBB
SCHEMBL9960856 0.66 PKM (0.33) CYP1A2TSHRALDH1A1POLBHBB
SCHEMBL9960826 0.64 LTB4R (0.36) CYP1A2TSHRALDH1A1POLB

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 ATM 3599/4885L3MBTL1 2548/4885CYP1A2 1483/4885

“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.