SCHEMBL2949996

SCHEMBL2949996

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.54
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 4/20 0.49
PKM P14618 1/20 0.49
PDK1 Q15118 1/20 0.49
AR P10275 1/20 0.47
PELP1 Q8IZL8 1/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.46
HCAR3 P49019 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.44
PTGER4 P35408 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL8474404 0.86 PDK1 (0.65) VCAM1KMT2AALDH1A1PKMPDK1
SCHEMBL2947165 0.86 PDK1 (0.46) VCAM1KMT2AALDH1A1PKMPDK1
SCHEMBL29887339 0.86 PDK1 (0.46) VCAM1KMT2AALDH1A1PKMPDK1
SCHEMBL13049965 0.85 KMT2A (0.52) VCAM1KMT2AALDH1A1PKMPDK1
SCHEMBL21319 0.85 CASP6 (0.57) KMT2APDK1LMNAHCAR3MEN1
SCHEMBL2955997 0.84 KMT2A (0.51) VCAM1KMT2AALDH1A1PKMPDK1
SCHEMBL18148190 0.83 VCAM1 (0.57) VCAM1KMT2AALDH1A1PKMPDK1
SCHEMBL16016753 0.83 ESR1 (0.55) KMT2AALDH1A1PKMPDK1LMNA
SCHEMBL21932200 0.82 VCAM1 (0.56) VCAM1KMT2AALDH1A1PKMPDK1
SCHEMBL4122879 0.82 VCAM1 (0.58) VCAM1KMT2AALDH1A1PKMPDK1

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-8445734-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2013-05-21 US disclosed
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2010-11-18 US disclosed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 US disclosed
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2004-09-09 US disclosed
WO-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 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-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NT5C3B, NSUN2, ERCC4 VCAM1 3546/4885KMT2A 2382/4885ALDH1A1 867/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B VCAM1 3745/4885KMT2A 2530/4885ALDH1A1 909/4885

“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.