SCHEMBL9960707

SCHEMBL9960707

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9960728 0.81 PKM (0.33) ALDH1A1POLBHBBHSD17B10MAPT
SCHEMBL9960856 0.81 PKM (0.33) ALDH1A1POLBHBBHSD17B10MAPT
SCHEMBL9960826 0.80 LTB4R (0.36) ALDH1A1POLBLTB4RLTB4R2CYP1A2
SCHEMBL9960749 0.79 KCNN4 (0.36) ALDH1A1KMT2AEDNRBEDNRAHDAC3
SCHEMBL9960644 0.77 KEAP1 (0.39) KMT2A
Bicarbonate SCHEMBL29088375 0.70 POLB (0.35) ALDH1A1POLBHBBHSD17B10KMT2A
Bicarbonate SCHEMBL29088377 0.70 POLB (0.35) ALDH1A1POLBHBBHSD17B10KMT2A
SCHEMBL9960632 0.70 ATM (0.36) ALDH1A1POLBHBBHSD17B10KMT2A
SCHEMBL12205622 0.66 POLB (0.44) ALDH1A1POLBHBBHSD17B10KMT2A
SCHEMBL9960737 0.66 POLB (0.38) ALDH1A1POLBKMT2AMAPTEDNRB

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 6 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
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 ALDH1A1 897/4885POLB 3046/4885HBB 3166/4885

“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.