SCHEMBL9969427

SCHEMBL9969427

CC(=O)c1ccc(CCC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 1/20 0.55
LMNA P02545 2/20 0.50
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
S1PR1 P21453 1/20 0.42
MAOB P27338 4/20 0.42
PYCR1 P32322 1/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
MAOA P21397 1/20 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
SCHEMBL13139803 0.94 MMP12 (0.53) KMT2AHSD17B10LMNAMMP12MMP13
SCHEMBL26298522 0.87 HSD17B10 (0.59) KMT2AHSD17B10LMNAEPHX2NR1H4
SCHEMBL19521968 0.84 THRB (0.41) HSD17B10S1PR1
SCHEMBL6396317 0.84 ALDH1A1 (0.55) KMT2AEPHX2NR1H4L3MBTL1MAPT
SCHEMBL9818052 0.83 KMT2A (0.73) KMT2AHSD17B10LMNAEPHX2NR1H4
SCHEMBL18701020 0.82 MLYCD (0.42) MMP12MMP13S1PR1
SCHEMBL5565002 0.81 S1PR1 (0.64) KMT2AHSD17B10LMNAS1PR1
SCHEMBL11742521 0.80 KMT2A (0.48) KMT2AHSD17B10LMNAEPHX2NR1H4
SCHEMBL22486922 0.80 PLK1 (0.49) KMT2AEPHX2NR1H4RAB9A
SCHEMBL5065524 0.79 GSK3B (0.53) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119082750-A Electrochemical oxidation method for selective benzyl carbon-hydrogen bond 中国科学院上海有机化学研究所 2024-12-06 CN disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (5 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 KMT2A 4556/4885HSD17B10 1682/4885LMNA 2404/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 KMT2A 4556/4885HSD17B10 1682/4885LMNA 2404/4885
US-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 KMT2A 52/4885HSD17B10 464/4885LMNA 1922/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC KMT2A 4703/4885HSD17B10 2334/4885LMNA 1265/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 KMT2A 4556/4885HSD17B10 1682/4885LMNA 2404/4885

“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.