SCHEMBL17138190

SCHEMBL17138190

CC(C)(C)CC(=O)Oc1cccc(OC(=O)CC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ACHE P22303 1/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40

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
SCHEMBL27578836 0.93 LMNA (0.50) KMT2AMEN1ACHELMNAGAA
SCHEMBL28389846 0.91 LMNA (0.61) KMT2AMEN1ACHECYP3A4LMNA
SCHEMBL27772417 0.89 FFAR1 (0.40) KMT2AMEN1ACHENPC1RAB9A
SCHEMBL7415225 0.87 ALDH1A1 (0.43) KMT2AACHECYP3A4LMNAGAA
SCHEMBL2448081 0.86 L3MBTL1 (0.47) KMT2ALMNAHPGDGAANPC1
SCHEMBL28220738 0.85 ACHE (0.47) KMT2AMEN1ACHECYP3A4LMNA
SCHEMBL27418279 0.84 MGLL (0.48)
SCHEMBL7868078 0.82 PPARG (0.49) KMT2AACHE
SCHEMBL10782553 0.78 ACHE (0.71) KMT2AMEN1ACHECYP3A4LMNA
SCHEMBL7868075 0.78 GPR52 (0.42) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401918-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING BIODEGRADABLE POLY(BETA-AMINO ESTERS) MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-07 EP disclosed
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 US 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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 KMT2A 580/4885MEN1 4684/4885ACHE 2498/4885

“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.