SCHEMBL6934720

SCHEMBL6934720

CC(C)(C)Sc1ccccc1SC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
CETP P11597 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7930508 0.84 ACHE (0.43) AOC3ALDH1A1HSD17B10TSHRTDP1
SCHEMBL7189127 0.84 CETP (0.34) AOC3CETPMEN1KMT2AALDH1A1
SCHEMBL12968375 0.83 AR (0.35) AOC3MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3209105 0.82 AOC3 (0.31) AOC3ALOX5APFEN1
SCHEMBL7111480 0.82 LMNA (0.41) KMT2AALDH1A1L3MBTL1NPSR1KDM4E
SCHEMBL24198840 0.82 TDP1 (0.44) AOC3ALDH1A1ALOX5APFEN1MAPT
SCHEMBL6863388 0.82 KMT2A (0.54) MEN1KMT2AALDH1A1L3MBTL1ALOX5AP
SCHEMBL30053659 0.82 LMNA (0.41) KMT2AALDH1A1L3MBTL1NPSR1KDM4E
SCHEMBL10294028 0.82 ALOX5AP (0.39) AOC3ALDH1A1ALOX5APFEN1ACHE
SCHEMBL15915417 0.82 HTR7 (0.42) AOC3ALDH1A1ALOX5APFEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 US disclosed
EP-0094821-B1 PROCESS FOR THE NUCLEOPHILIC SUBSTITUTION OF UNACTIVATED AROMATIC AND HETEROAROMATIC SUBSTRATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-08 EP disclosed
US-4783285-A CATALYZED BY ACYCLIC OR CYCLIC POLYETHER E. I. DUPONT DE NEMOURS AND COMPANY (US) 1988-11-08 US disclosed
US-4683091-A Process for the nucleophilic substitution of unactivated aromatic and heteroaromatic substrates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-28 US disclosed
EP-0094821-A1 Process for the nucleophilic substitution of unactivated aromatic and heteroaromatic substrates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-11-23 EP 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-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C AOC3 1076/4885CETP 1483/4885MEN1 817/4885
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P AOC3 4645/4885CETP 3064/4885MEN1 3938/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 AOC3 4673/4885CETP 2901/4885MEN1 4739/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD AOC3 3608/4885CETP 871/4885MEN1 2090/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 AOC3 4828/4885CETP 3342/4885MEN1 4321/4885

“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.