SCHEMBL1829428

SCHEMBL1829428

NCCC/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
HTR2A P28223 3/20 0.47
SIGMAR1 Q99720 2/20 0.46
PAM P19021 1/20 0.45
MAOB P27338 2/20 0.42
MAOA P21397 2/20 0.41
CYP19A1 P11511 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
SCHEMBL1323652 1.00 IDO1 (0.50) IDO1HTR2ASIGMAR1PAMMAOB
SCHEMBL1829832 0.94 IDO1 (0.48) IDO1HTR2ASIGMAR1PAMMAOB
SCHEMBL1829833 0.94 IDO1 (0.48) IDO1HTR2ASIGMAR1PAMMAOB
SCHEMBL7915166 0.92 IDO1 (0.47) IDO1HTR2ASIGMAR1PAMMAOA
SCHEMBL7901409 0.92 IDO1 (0.47) IDO1HTR2ASIGMAR1PAMMAOA
SCHEMBL28946124 0.92 IDO1 (0.47) IDO1HTR2ASIGMAR1PAMMAOA
SCHEMBL1880845 0.92 IDO1 (0.47) IDO1HTR2ASIGMAR1PAMMAOA
SCHEMBL1368774 0.92 IDO1 (0.47) IDO1HTR2ASIGMAR1PAMMAOA
SCHEMBL7836247 0.90 IDO1 (0.46) IDO1HTR2ASIGMAR1PAMMAOA
SCHEMBL11587602 0.89 TNNC1 (0.38) IDO1HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114084-A1 Methods for Preparing Ruthenium Carbene Complexes and Precursors Thereto ELEVANCE RENEWABLE SCIENCES, INC. (US) 2017-04-27 US disclosed
US-8399594-B2 Blocked-isocyanate silicone resins DOW CORNING CORPORATION (US) 2013-03-19 US disclosed
EP-2102286-B1 BLOCKED ISOCYANATE SILICONE RESINS DOW CORNING (US) 2011-05-11 EP disclosed
US-20100093902-A1 Blocked-Isocyanate Silicone Resins DOW CORNING CORPORATION 2010-04-15 US disclosed
EP-2102286-A1 BLOCKED ISOCYANATE SILICONE RESINS Dow Corning Corporation (US) 2009-09-23 EP disclosed
WO-2008088492-A1 BLOCKED ISOCYANATE SILICONE RESINS DOW CORNING CORPORATRION (US) 2008-07-24 WO disclosed
US-20070167587-A1 Process for producing polymer with functional end KURARAY CO., LTD. (JP) 2007-07-19 US disclosed
EP-1721912-A1 PROCESS FOR PRODUCING POLYMER WITH FUNCTIONAL END KURARAY CO., LTD. (JP) 2006-11-15 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-20170114084-A1 Methods for Preparing Ruthenium Carbene Complexes and Precursors Thereto AVPR1B, PRLHR, AVPR2 IDO1 1930/4885HTR2A 2411/4885SIGMAR1 1867/4885

“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.