SCHEMBL9947510

SCHEMBL9947510

COc1ccc(CCC(=O)Oc2cc(C)oc(=O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MMP3 P08254 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
POLB P06746 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL457128 0.78 SLC5A1 (0.62) F2RL1L3MBTL1LMNAMAPTNFKB1
SCHEMBL9902245 0.78 ALDH1A1 (0.58) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL1445627 0.75 F2RL1 (0.73) F2RL1L3MBTL1LMNAMAPTNFKB1
SCHEMBL14877832 0.75 CALM1 (0.62) F2RL1L3MBTL1LMNAMAPTNFKB1
SCHEMBL2172184 0.75 KMT2A (0.66) F2RL1L3MBTL1LMNAMAPTALDH1A1
SCHEMBL11246900 0.75 CALM1 (0.62) F2RL1L3MBTL1LMNAMAPTNFKB1
SCHEMBL11424136 0.74 F2RL1 (0.57) F2RL1L3MBTL1LMNAMAPTNFKB1
SCHEMBL28271408 0.73 KMT2A (0.72) F2RL1L3MBTL1LMNAMAPTALDH1A1
SCHEMBL14877841 0.73 NFKB1 (0.57) F2RL1L3MBTL1LMNAMAPTNFKB1
SCHEMBL9947512 0.73 KMT2A (0.48) LMNAMAPTALDH1A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188592-B2 2-pyrones MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2648689-B1 2-PYRONES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
US-20170014325-A1 2-PYRONES MERCK PATENT GMBH (DE) 2017-01-19 US disclosed
US-20170014325-A1 2-PYRONES MERCK PATENT GMBH (DE) 2017-01-19 US disclosed
US-9499508-B2 2-pyrones MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-9499508-B2 2-pyrones MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-20130261175-A1 2-PYRONES MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
US-20130261175-A1 2-PYRONES MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
WO-2012076109-A2 2-PYRONES MERCK PATENT GMBH (DE) 2012-06-14 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 (3 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-20170014325-A1 2-PYRONES PYCR1, CYP17A1, CYP11B2 F2RL1 2729/4885L3MBTL1 4531/4885LMNA 260/4885
US-20130261175-A1 2-PYRONES PYCR1, CYP17A1, CYP11B2 F2RL1 2729/4885L3MBTL1 4531/4885LMNA 260/4885
US-10188592-B2 2-pyrones PYCR1, CYP17A1, CYP11B2 F2RL1 2729/4885L3MBTL1 4531/4885LMNA 260/4885

“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.