SCHEMBL3107649

SCHEMBL3107649

O=C(Cc1ccccc1C1CCCCC1)Cc1ccccc1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
NAAA Q02083 1/20 0.48
EPHX2 P34913 1/20 0.40
PTGS2 P35354 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
EPHX1 P07099 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMO O15229 1/20 0.37
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36

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
SCHEMBL1156415 0.91 SLC6A2 (0.43) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL2550680 0.88 PTGDR2 (0.56) PTGDR2NAAAEPHX2PTGS2
SCHEMBL5049361 0.86 PTGDR2 (0.48) PTGDR2NAAAEPHX2PTGS2KMT2A
SCHEMBL9780785 0.86 PTGDR2 (0.48) PTGDR2NAAAEPHX2PTGS2KMT2A
Hydrochloric Acid SCHEMBL11528572 0.86 PTGDR2 (0.55) PTGDR2NAAAEPHX2PTGS2
SCHEMBL23533813 0.86 PTGDR2 (0.48) PTGDR2NAAAEPHX2PTGS2KMT2A
SCHEMBL5051928 0.86 PTGDR2 (0.48) PTGDR2NAAAEPHX2PTGS2KMT2A
SCHEMBL3633503 0.86 PTGDR2 (0.54) PTGDR2NAAAEPHX2PTGS2SLC6A2
SCHEMBL3979460 0.84 PTGDR2 (0.45) PTGDR2NAAAEPHX2KMT2AMEN1
Hydrochloric Acid SCHEMBL5051903 0.83 PTGDR2 (0.44) PTGDR2NAAAEPHX2KMT2AMEN1

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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 US claimed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO claimed
US-20130116438-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-09 US disclosed
US-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 US disclosed
US-7732544-B2 Titanium compound and process for producing optically active cyanohydrins MITSUI CHEMICALS, INC. (JP) 2010-06-08 US disclosed
EP-1806336-B1 TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS MITSUI CHEMICALS INC (JP) 2009-09-30 EP disclosed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO disclosed
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins MITSUI CHEMICALS, INC. (JP) 2007-11-15 US disclosed
EP-1806336-A1 TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS Mitsui Chemicals, Inc. (JP) 2007-07-11 EP disclosed
US-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 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 (3 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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE TDO2, AOX1, DAO PTGDR2 4737/4885NAAA 1780/4885EPHX2 438/4885
US-20130116438-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND PPIP5K2, INF2, IMPDH2 PTGDR2 1353/4885NAAA 2730/4885EPHX2 1029/4885
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins WNT1, C3AR1, TDO2 PTGDR2 4458/4885NAAA 2493/4885EPHX2 1665/4885

“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.