SCHEMBL4290624

SCHEMBL4290624

OC[C@@H](O)COCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
CYP1A2 P05177 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP2C19 P33261 1/20 0.43
GBA1 P04062 2/20 0.43
UGCG Q16739 2/20 0.43
GBA2 Q9HCG7 2/20 0.43
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL132355 1.00 KDM4E (0.43) KDM4ECYP1A2KMT2AMEN1CYP2C19
SCHEMBL34463743 1.00 KDM4E (0.43) KDM4ECYP1A2KMT2AMEN1CYP2C19
SCHEMBL13339371 1.00 KDM4E (0.43) KDM4ECYP1A2KMT2AMEN1CYP2C19
SCHEMBL27743245 0.84 KMT2A (0.43) KDM4ECYP1A2KMT2AMEN1GBA1
SCHEMBL15583053 0.81 KMT2A (0.49) KDM4ECYP1A2KMT2AMEN1GBA1
SCHEMBL901166 0.81 KMT2A (0.50) KDM4ECYP1A2KMT2AMEN1GBA1
SCHEMBL5376000 0.80 MEN1 (0.48) KDM4ECYP1A2KMT2AMEN1CYP2C19
SCHEMBL4367349 0.80 MEN1 (0.58) KDM4ECYP1A2KMT2AMEN1CYP2C19
SCHEMBL13367174 0.77 GBA1 (0.42) KDM4ECYP1A2KMT2AMEN1GBA1
SCHEMBL2562377 0.76 CYP1A2 (0.65) KDM4ECYP1A2KMT2AMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102937-B2 Stable and selective formation of hoogsteen-type triplexes and duplexes using twisted intercalating nucleic acids (TINA) and process for the preparation of TINA TINA HOLDING APS (DK) 2015-08-11 US disclosed
CN-101238213-B Stable and selective formation of hoogsteen-type triplexes and duplexes using twisted intercalating nucleic acids (TINA) and process for the preparation of tina TINA HOLDING APS 2015-05-20 CN disclosed
EP-1888748-B1 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA TINA HOLDING APS (DK) 2013-08-28 EP disclosed
US-20100121056-A1 PSEUDONUCLEOTIDE COMPRISING AN INTERCALATOR HUMAN GENETIC SIGNATURES PTY. LTD. (AU) 2010-05-13 US disclosed
US-20090216003-A1 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA TINA HOLDING APS (DK) 2009-08-27 US disclosed
CN-101238213-A Stable and selective formation of hoogsteen-type triplexes and duplexes using twisted intercalating nucleic acids (TINA) and process for the preparation of tina TINA HOLDING APS (DK) 2008-08-06 CN 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-20100121056-A1 PSEUDONUCLEOTIDE COMPRISING AN INTERCALATOR POLRMT, POLN, RNASE1 KDM4E 4143/4885CYP1A2 2291/4885KMT2A 3256/4885
US-20090216003-A1 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA PCNA, DNA2, NUDT1 KDM4E 4588/4885CYP1A2 4080/4885KMT2A 1440/4885

“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.