SCHEMBL9947508

SCHEMBL9947508

CCCCCCCCCCCCCCOc1cc(C)oc(=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
BLM P54132 1/20 0.43
THRB P10828 2/20 0.43
THRA P10827 1/20 0.43
NR5A1 Q13285 1/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL12408515 0.98 KDM4E (0.49) PLA2G2AKDM4EALDH1A1MAPTPOLB
SCHEMBL7457655 0.93 CA1 (0.51) PLA2G2AKDM4EALDH1A1MAPTPOLB
SCHEMBL7469324 0.88 ALDH1A1 (0.51) KDM4EALDH1A1MAPTPOLBCA1
SCHEMBL7964491 0.82 KDM4E (0.60) KDM4EALDH1A1MAPTPOLBCA1
SCHEMBL9901344 0.82 PLA2G2A (0.47) PLA2G2ACA1CA9CA12CA2
SCHEMBL7463651 0.79 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPOLBCA1
SCHEMBL9947512 0.77 KMT2A (0.48) KDM4EALDH1A1MAPTPOLBLMNA
SCHEMBL22149729 0.76 SLC2A1 (0.46) PLA2G2ACA1CA9CA12CA2
SCHEMBL22149512 0.76 SLC2A1 (0.46) PLA2G2ACA1CA9CA12CA2
SCHEMBL9016884 0.75 PLA2G2A (0.68) PLA2G2AALDH1A1BLMTHRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167375-A1 BASE OIL OR LUBRICANT ADDITIVE NATIONAL SCIENCE FOUNDATION 2023-06-01 US disclosed
US-20230167375-A1 BASE OIL OR LUBRICANT ADDITIVE NATIONAL SCIENCE FOUNDATION 2023-06-01 US disclosed
US-11542454-B2 Base oil or lubricant additive IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-01-03 US disclosed
US-20220033729-A1 BASE OIL OR LUBRICANT ADDITIVE NATIONAL SCIENCE FOUNDATION 2022-02-03 US disclosed
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 PLA2G2A 3257/4885KDM4E 1753/4885ALDH1A1 658/4885
US-20130261175-A1 2-PYRONES PYCR1, CYP17A1, CYP11B2 PLA2G2A 3257/4885KDM4E 1753/4885ALDH1A1 658/4885
US-10188592-B2 2-pyrones PYCR1, CYP17A1, CYP11B2 PLA2G2A 3257/4885KDM4E 1753/4885ALDH1A1 658/4885

“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.