SCHEMBL13416012

SCHEMBL13416012

Cc1ccc(/C=C/c2ccccc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.58
▸ PTGS2 P35354 2/20 0.58
▸ RAB9A P51151 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ NPC1 O15118 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43

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
SCHEMBL13788744 0.89 PTGS1 (0.63) PTGS1PTGS2RAB9AKMT2AMAPT
SCHEMBL11320620 0.84 MAOB (0.50) RAB9AKMT2ATDP1MEN1NPC1
SCHEMBL11320604 0.84 MAOB (0.50) RAB9AKMT2ATDP1MEN1NPC1
SCHEMBL12307008 0.84 MAPT (0.61) PTGS1PTGS2RAB9AKMT2AMAPT
SCHEMBL13226178 0.84 MAPT (0.61) PTGS1PTGS2RAB9AKMT2AMAPT
SCHEMBL12600362 0.83 PTGS1 (0.58) PTGS1PTGS2RAB9AKMT2AMAPT
SCHEMBL12639953 0.83 PTGS1 (0.58) PTGS1PTGS2RAB9AKMT2AMAPT
SCHEMBL14433026 0.82 PTGS1 (0.59) PTGS1PTGS2RAB9AKMT2AMAPT
SCHEMBL18783304 0.80 PTGS1 (0.54) PTGS1PTGS2RAB9AKMT2AMAPT
SCHEMBL13515171 0.79 KMT2A (0.47) PTGS1PTGS2RAB9AKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7687598-B2 Dendrimer and electronic device element employing the same SHARP KABUSHIKI KAISHA (JP) 2010-03-30 — — US disclosed
US-7687598-B2 Dendrimer and electronic device element employing the same SHARP KABUSHIKI KAISHA (JP) 2010-03-30 — — US disclosed
US-7585933-B2 Dendritic polymer and electronic device element employing the polymer SHARP KABUSHIKI KAISHA (JP) 2009-09-08 — — US disclosed
US-7531619-B2 Process for producing dendrimer, building block compound, and process for producing thiophene compound TOYO GOSEI CO., LTD. (JP) 2009-05-12 — — US disclosed
EP-1535942-B1 METHOD FOR PRODUCING A ENDRIMER, BUILDING BLOCK COMPOUND, AND METHOD FOR PRODUCING A THIOPHENE COMPOUND TOYO GOSEI CO LTD (JP) 2007-04-11 — — 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 (2 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-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B PTGS1 2576/4885PTGS2 1472/4885RAB9A 937/4885
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B PTGS1 2576/4885PTGS2 1472/4885RAB9A 937/4885

“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.

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