SCHEMBL855148

SCHEMBL855148

CCc1cccc(C(=O)C(C)(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.48
BCL2 P10415 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
CNR2 P34972 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
SLC7A5 Q01650 1/20 0.42
ACHE P22303 1/20 0.42
FOLH1 Q04609 1/20 0.42
ALOX5 P09917 1/20 0.40
GRIN2B Q13224 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL6293976 0.85 PRSS1 (0.50) SMYD3CNR2LOXL2CYP4F2CYP4A11
SCHEMBL13028737 0.84 LOXL2 (0.60) LOXL2SLC7A5ACHEFOLH1
SCHEMBL19704118 0.84 CYP2D6 (0.42) LOXL2CYP4F2CYP4A11SLC7A5ACHE
SCHEMBL27261961 0.84 CES2 (0.42) KAT6ALOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL17192801 0.84 ACHE (0.45) KAT6ALOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL14850048 0.84 ACHE (0.41) LOXL2CYP4F2CYP4A11SLC7A5ACHE
SCHEMBL10031819 0.82 ACHE (0.52) ACHEALOX5TDP1L3MBTL1
SCHEMBL22968749 0.81 CYP4F2 (0.44) KAT6ALOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL12632265 0.81 KMT2A (0.45) ACHETSHRL3MBTL1
SCHEMBL11448454 0.80 PPARA (0.56) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors CYPRUS UNIVERSITY OF TECHNOLOGY (CY) 2017-06-22 US disclosed
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-12-31 US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 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 (9 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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 KAT6A 2312/4885BCL2 1477/4885SMYD3 982/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KAT6A 1098/4885BCL2 3389/4885SMYD3 3004/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 KAT6A 1795/4885BCL2 575/4885SMYD3 538/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KAT6A 1098/4885BCL2 3389/4885SMYD3 3004/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KAT6A 1098/4885BCL2 3389/4885SMYD3 3004/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KAT6A 1098/4885BCL2 3389/4885SMYD3 3004/4885
US-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 KAT6A 3224/4885BCL2 3509/4885SMYD3 3902/4885
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF PTGES, PTGES3, PTGS1 KAT6A 3224/4885BCL2 3509/4885SMYD3 3902/4885
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors NOS2, NOS1, HSF1 KAT6A 3053/4885BCL2 2123/4885SMYD3 1562/4885

“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.