SCHEMBL2233168

SCHEMBL2233168

CCOCCN(CCO)CCO

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
THRB P10828 1/20 0.30

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
SCHEMBL9517032 1.00 ALDH1A1 (0.55) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL11200987 0.95 ALDH1A1 (0.50) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL15965440 0.95 ALDH1A1 (0.50) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL10965160 0.93 ALDH1A1 (0.61) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL15965461 0.91 ALDH1A1 (0.58) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL15965443 0.91 ALDH1A1 (0.58) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL24592100 0.88 ALDH1A1 (0.67) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL11099306 0.88 ALDH1A1 (0.67) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL14528348 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRHSD17B10
Trolamine SCHEMBL2727265 0.87 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10MAPK1CYP1A2

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-8182789-B2 Intermediate compound of technetium nitride complex for radiodiagnostic imaging NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-05-22 US disclosed
US-8182789-B2 Intermediate compound of technetium nitride complex for radiodiagnostic imaging NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-05-22 US disclosed
US-8182789-B2 Intermediate compound of technetium nitride complex for radiodiagnostic imaging NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-05-22 US disclosed
EP-1973923-B1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDIPHYSICS CO LTD (JP) 2011-08-17 EP disclosed
EP-1973923-B1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDIPHYSICS CO LTD (JP) 2011-08-17 EP disclosed
US-20100160615-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MED-PHYSICS CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160615-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MED-PHYSICS CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160615-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MED-PHYSICS CO., LTD. (JP) 2010-06-24 US disclosed
EP-1973923-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDI-PHYSICS CO., LTD. (JP) 2008-10-01 EP disclosed
WO-2007083395-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDI-PHYSICS CO., LTD. (JP) 2007-07-26 WO disclosed
WO-2007083395-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDI-PHYSICS CO., LTD. (JP) 2007-07-26 WO disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US 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-20100160615-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING MEN1, NCDN, C1R ALDH1A1 4466/4885MEN1 1/4885POLB 3290/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885MEN1 2421/4885POLB 3963/4885

“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.