SCHEMBL2955997

SCHEMBL2955997

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
VCAM1 P19320 1/20 0.49
PDK1 Q15118 1/20 0.47
AR P10275 1/20 0.46
PELP1 Q8IZL8 1/20 0.46
ALDH1A1 P00352 5/20 0.45
PKM P14618 2/20 0.45
LMNA P02545 2/20 0.44
HCAR3 P49019 1/20 0.44
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
PTGER4 P35408 1/20 0.42
NPC1 O15118 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 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
SCHEMBL13049965 0.89 KMT2A (0.52) KMT2AVCAM1PDK1ARPELP1
SCHEMBL2957417 0.87 PDK1 (0.44) KMT2AVCAM1PDK1ALDH1A1PKM
SCHEMBL2949996 0.84 VCAM1 (0.54) KMT2AVCAM1PDK1ARPELP1
SCHEMBL8474404 0.81 PDK1 (0.65) KMT2AVCAM1PDK1ARPELP1
SCHEMBL16016739 0.79 PDK1 (0.44) KMT2APDK1ALDH1A1PKMLMNA
SCHEMBL18148190 0.78 VCAM1 (0.57) KMT2AVCAM1PDK1ARPELP1
SCHEMBL1970488 0.78 ALDH1A1 (0.55) KMT2AALDH1A1LMNAHPGDRAB9A
SCHEMBL30635851 0.78 ALDH1A1 (0.62) KMT2AVCAM1PDK1ALDH1A1PKM
SCHEMBL12138038 0.78 ALDH1A1 (0.62) KMT2AVCAM1PDK1ALDH1A1PKM
SCHEMBL21932200 0.77 VCAM1 (0.56) KMT2AVCAM1PDK1ARPELP1

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 4 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

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 KMT2A 2382/4885VCAM1 3546/4885PDK1 4013/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B KMT2A 2530/4885VCAM1 3745/4885PDK1 3890/4885

“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.