SCHEMBL9947512

SCHEMBL9947512

CCCCCCCCCCCCCCCC(=O)Oc1cc(C)oc(=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GLA P06280 2/20 0.47
GAA P10253 1/20 0.47
ELANE P08246 4/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
POLM Q9NP87 1/20 0.40
POLK Q9UBT6 1/20 0.40
POLL Q9UGP5 1/20 0.40
POLH Q9Y253 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
SCHEMBL9902245 0.88 ALDH1A1 (0.58) KMT2AALDH1A1KDM4ESMN1; SMN2GLA
SCHEMBL14060909 0.81 KMT2A (0.55) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14060987 0.81 KMT2A (0.55) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27261307 0.79 KMT2A (0.50) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11956262 0.77 PTGS1 (0.57)
SCHEMBL21431967 0.77 KMT2A (0.49) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17717408 0.77 POLB (0.39) KMT2AALDH1A1KDM4EGLAGAA
SCHEMBL381723 0.76 ALDH1A1 (0.84) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL3219473 0.76 ALDH1A1 (0.84) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL381035 0.76 ALDH1A1 (0.84) KMT2ANPC1RAB9AALDH1A1KDM4E

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 14 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
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
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-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-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
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 KMT2A 3392/4885NPC1 4319/4885RAB9A 4711/4885
US-20130261175-A1 2-PYRONES PYCR1, CYP17A1, CYP11B2 KMT2A 3392/4885NPC1 4319/4885RAB9A 4711/4885
US-10188592-B2 2-pyrones PYCR1, CYP17A1, CYP11B2 KMT2A 3392/4885NPC1 4319/4885RAB9A 4711/4885

“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.