SCHEMBL2812848

SCHEMBL2812848

CCCCNC(=O)c1cc[c]o1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NAAA Q02083 3/20 0.44
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6614810 0.90 POLB (0.49) TSHRHTTHPGDL3MBTL1ALDH1A1
SCHEMBL6764380 0.84 POLB (0.45) TSHRHTTHPGDSMN1; SMN2L3MBTL1
SCHEMBL6762818 0.83 HPGD (0.49) TSHRHTTHPGDSMN1; SMN2L3MBTL1
SCHEMBL4481449 0.83 MAPK1 (0.40) TSHRHPGDL3MBTL1LMNAMEN1
SCHEMBL4490802 0.73
SCHEMBL3092684 0.72 ALDH1A1 (0.81) TSHRHTTHPGDSMN1; SMN2L3MBTL1
SCHEMBL4158767 0.71 SMN1; SMN2 (0.62) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL30865472 0.71 HPGD (0.79) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL30865488 0.71 HPGD (0.79) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL30865420 0.71 HPGD (0.79) TSHRHTTHPGDSMN1; SMN2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-08-16 US disclosed
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-12-29 US disclosed
EP-2396289-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES Agency For Science, Technology And Research (SG) 2011-12-21 EP disclosed
US-20100249443-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-09-30 US disclosed
WO-2010093336-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 WO disclosed
WO-2010093327-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 WO disclosed
US-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-22 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-2190851-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES Agency for Science, Technology and Research (SG) 2010-06-02 EP disclosed
EP-2137197-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES Agency for Science, Technology And Research (SG) 2009-12-30 EP disclosed
EP-1806336-B1 TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS MITSUI CHEMICALS INC (JP) 2009-09-30 EP disclosed
WO-2009041919-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-02 WO disclosed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO disclosed
WO-2008121076-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 TSHR 770/4885HTT 4703/4885HPGD 4279/4885
US-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES ABL1, CD59, TDO2 TSHR 631/4885HTT 3052/4885HPGD 4812/4885
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins WNT1, C3AR1, TDO2 TSHR 797/4885HTT 2945/4885HPGD 3904/4885
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 TSHR 245/4885HTT 2188/4885HPGD 4530/4885
US-20100249443-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES ABL1, CD59, TDO2 TSHR 631/4885HTT 3052/4885HPGD 4812/4885
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 TSHR 245/4885HTT 2188/4885HPGD 4530/4885

“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.