SCHEMBL2685285

SCHEMBL2685285

COc1ccc(C#CC(O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
ACP3 P15309 1/20 0.46
KMT2A Q03164 3/20 0.46
CACNA2D1 P54289 1/20 0.44
CACNB2 Q08289 1/20 0.44
CACNA1C Q13936 1/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
NLRP3 Q96P20 1/20 0.43
ACACB O00763 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KCNH2 Q12809 1/20 0.42
CA4 P22748 1/20 0.42
PBRM1 Q86U86 1/20 0.42
LTA4H P09960 1/20 0.41
DHFR P00374 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 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
SCHEMBL23572596 1.00 APP (0.49) APPACP3KMT2ACACNA2D1CACNB2
SCHEMBL22122696 0.93 KMT2A (0.47) APPACP3KMT2ACACNA2D1CACNB2
SCHEMBL2683955 0.93 KMT2A (0.47) APPACP3KMT2ACACNA2D1CACNB2
SCHEMBL9942722 0.91 APP (0.53) APPACACBALDH1A1KCNH2
SCHEMBL13859211 0.85 DHFR (0.45) KMT2ACACNA2D1CACNB2CACNA1CMEN1
SCHEMBL3924311 0.84 APP (0.46) APPKMT2AMEN1NPC1RAB9A
SCHEMBL2802710 0.83 AOC3 (0.46) DHFR
SCHEMBL2468153 0.82 DHFR (0.51) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL2519799 0.82 TSHR (0.52) APPKMT2ACACNA2D1CACNB2CACNA1C
SCHEMBL2801832 0.82 TSHR (0.52) APPKMT2ACACNA2D1CACNB2CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168835-B2 Method for preparing propargylic alcohol catalyzed by 2-morpholinoisobornane-10-thiol NATIONAL TSING HUA UNIVERSITY (TW) 2012-05-01 US disclosed
US-20110295042-A1 METHOD FOR PREPARING PROPARGYLIC ALCOHOL CATALYZED BY 2-MORPHOLINOISOBORNANE-10-THIOL NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-01 US disclosed
EP-1872173-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2008-01-02 EP disclosed
EP-1869140-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS Johnson and Johnson Vision Care, Inc. (US) 2007-12-26 EP disclosed
EP-1866699-A1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-12-19 EP disclosed
WO-2006110513-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
WO-2006110221-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO disclosed
WO-2006110219-A1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO disclosed
EP-1248778-A1 SUBSTITUTED PHOTOCHROMIC 2H-NAPHTHO 1,2-B] PYRAN COMPOUNDS PPG Industries Ohio Inc. (US) 2002-10-16 EP disclosed
WO-2001051483-A1 SUBSTITUTED PHOTOCHROMIC 2H-NAPHTHO [1,2-B] PYRAN COMPOUNDS PPG INDUSTRIES OHIO, INC. (US) 2001-07-19 WO disclosed
EP-0560898-A4 PHOTOCHROMIC NAPHTHOPYRANS 1993-11-18 EP disclosed
EP-0560898-A1 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1993-09-22 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 (1 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-20110295042-A1 METHOD FOR PREPARING PROPARGYLIC ALCOHOL CATALYZED BY 2-MORPHOLINOISOBORNANE-10-THIOL GRHPR, ADH1C, ADH5 APP 3945/4885ACP3 4748/4885KMT2A 682/4885

“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.