SCHEMBL128148

SCHEMBL128148

Cc1ccc(C(C)(C)O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
DAO P14920 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPK1 P28482 1/20 0.33
RIPK1 Q13546 1/20 0.33
PRMT6 Q96LA8 1/20 0.32
YEATS4 O95619 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 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
SCHEMBL14227644 0.79 MAPK1 (0.39) MAPTDAONPC1CASP3RAB9A
SCHEMBL279712 0.79 MAPK1 (0.39) MAPTDAONPC1CASP3RAB9A
SCHEMBL12238617 0.78 DAO (0.33) DAOLMNATSHR
SCHEMBL12264366 0.77 MAPK1 (0.47) NPC1RAB9ALMNATSHRKMT2A
SCHEMBL353045 0.77 NPC1 (0.34) MAPTDAONPC1CASP3RAB9A
SCHEMBL27609951 0.76 DAO (0.35) MAPTDAONPC1CASP3RAB9A
SCHEMBL31708087 0.76 DAO (0.32) DAO
SCHEMBL23564899 0.75 NPC1 (0.33) MAPTDAONPC1CASP3RAB9A
SCHEMBL16548502 0.75 NPC1 (0.38) MAPTDAONPC1CASP3RAB9A
SCHEMBL16019420 0.75 DAO (0.33) MAPTDAONPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2016-03-24 US disclosed
US-9227986-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2016-01-05 US disclosed
US-20150036204-A1 OPTICAL FILTER WITH LIGHT SOURCE SWITCH MATERIALS, INC. (CA) 2015-02-05 US disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 US disclosed
EP-1436290-B1 ALKYNE-ARYL-NAPHTHYRIDIN-4(1H)-0NE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITOR MERCK FROSST CANADA LTD (CA) 2013-09-18 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
US-8309730-B2 Nonsteroidal compounds useful as modulators of glucocorticoid receptor AP-1 and/or NF-kappab acitivity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed
WO-2004021987-A2 TREATMENT OF RHEUMATOID ARTHRITIS BY INHIBITION OF PDE4 MERCK & CO., INC. (US) 2004-03-18 WO disclosed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 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 (4 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 MAPT 4877/4885DAO 388/4885NPC1 1907/4885
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B MAPT 4557/4885DAO 2317/4885NPC1 3796/4885
US-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF NFKBIA, RELA, NR3C1 MAPT 4791/4885DAO 2743/4885NPC1 1936/4885
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B MAPT 4557/4885DAO 2317/4885NPC1 3796/4885

“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.