SCHEMBL25432

SCHEMBL25432

CCCC[PH](CCCC)(CCCC)CCCOC(=O)c1ccc(C(C)CO)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KMT2A Q03164 2/20 0.40
PTGER4 P35408 1/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PDK1 Q15118 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL16016753 0.92 ESR1 (0.55) ESR1ALDH1A1RAB9AMAPTNPC1
SCHEMBL16016735 0.83 THRA (0.41) MAPTPDK1
SCHEMBL25650 0.82 LMNA (0.51) ALDH1A1RAB9AMAPTNPC1KMT2A
SCHEMBL2949996 0.78 VCAM1 (0.54) ALDH1A1RAB9AMAPTPKMKMT2A
SCHEMBL16016907 0.76 THRA (0.48) ESR1ALDH1A1MAPTPDK1
SCHEMBL16016718 0.75 THRA (0.41) ESR1ALDH1A1RAB9AMAPTNPC1
SCHEMBL16016763 0.75 THRA (0.40) ESR1ALDH1A1RAB9AMAPTNPC1
SCHEMBL29887339 0.74 PDK1 (0.46) ALDH1A1RAB9AMAPTNPC1PKM
SCHEMBL2947165 0.74 PDK1 (0.46) ALDH1A1RAB9AMAPTNPC1PKM
SCHEMBL26165 0.74 LMNA (0.49) ALDH1A1RAB9AMAPTNPC1KMT2A

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 5 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
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 US disclosed
WO-2013026142-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2013-02-28 WO disclosed
WO-2012024776-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-03-01 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 (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 ESR1 4213/4885ALDH1A1 3379/4885RAB9A 4792/4885

“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.