SCHEMBL3633357

SCHEMBL3633357

CCCCN=CNCCCC.O=C(O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HDAC3 O15379 5/20 0.37
HDAC1 Q13547 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
JAK2 O60674 1/20 0.37
PAX8 Q06710 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
TACR1 P25103 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 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
Acetic Acid SCHEMBL10405012 0.78 ADH1B (0.42) TSHRALDH1A1KMT2AMEN1
Acetic Acid SCHEMBL10405011 0.78 ADH1B (0.42) TSHRALDH1A1KMT2AMEN1
SCHEMBL3060455 0.74 ADH1B (0.46) TSHRALDH1A1
SCHEMBL905748 0.74 ADH1B (0.46) TSHRALDH1A1
SCHEMBL10492069 0.69 HTT (0.54) HTTNPSR1MAPTGAAALOX12
SCHEMBL15806820 0.68 EPHX1 (0.46) MAPTTSHRALDH1A1KMT2ANAAA
Dimethylamine SCHEMBL10653757 0.67 NPSR1 (0.58) HTTNPSR1MAPTGAANPC1
SCHEMBL19778 0.67 NPSR1 (0.70) HTTNPSR1MAPTGAANPC1
SCHEMBL15836182 0.66 ALDH1A1 (0.35) TSHRALDH1A1KMT2AMEN1
SCHEMBL170578 0.66 EPHX1 (0.48) TSHRALDH1A1KMT2ANAAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160396-B1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES INC (US) 2018-11-21 EP disclosed
EP-2476689-B1 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES INC (US) 2015-10-21 EP disclosed
US-9067961-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2015-06-30 US disclosed
US-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-09-20 US disclosed
EP-2476689-A1 Thiocarbon-protecting groups for RNA synthesis Agilent Technologies, Inc. (US) 2012-07-18 EP disclosed
US-8202983-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2012-06-19 US disclosed
EP-2160396-A2 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS Agilent Technologies, Inc. (US) 2010-03-10 EP disclosed
US-20090209479-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. 2009-08-20 US disclosed
WO-2008141248-A2 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2008-11-20 WO 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-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS NSUN3, NSUN2, TRDMT1 HTT 647/4885NPSR1 3032/4885MAPT 4404/4885
US-20090209479-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS NSUN3, NSUN2, TRDMT1 HTT 647/4885NPSR1 3032/4885MAPT 4404/4885

“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.