SCHEMBL16016907

SCHEMBL16016907

CCCCCC(=O)c1ccc(C(C)CO)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PDK1 Q15118 2/20 0.45
HCAR3 P49019 3/20 0.44
HSD17B3 P37058 6/20 0.43
ESR1 P03372 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL16016735 0.91 THRA (0.41) THRATHRBPDK1HCAR3HSD17B3
SCHEMBL1611987 0.90 THRA (0.46) THRATHRBHCAR3HSD17B3ALDH1A1
SCHEMBL1611950 0.81 THRA (0.48) THRATHRBPDK1HCAR3HSD17B3
SCHEMBL16016753 0.81 ESR1 (0.55) PDK1ESR1ALDH1A1MAPT
SCHEMBL21319 0.80 CASP6 (0.57) PDK1HCAR3
SCHEMBL11765445 0.78 LMNA (0.57) THRATHRBHCAR3HSD17B3ALDH1A1
SCHEMBL16016718 0.78 THRA (0.41) THRATHRBPDK1HCAR3HSD17B3
SCHEMBL16016763 0.77 THRA (0.40) THRATHRBPDK1HCAR3HSD17B3
SCHEMBL28029786 0.77 HCAR3 (0.53) THRATHRBHCAR3HSD17B3GAA
SCHEMBL2949996 0.77 VCAM1 (0.54) PDK1HCAR3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920084-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-20 US disclosed
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 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 (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-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides RNGTT, OSTC, OSGEP THRA 3708/4885THRB 3613/4885PDK1 4196/4885

“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.