SCHEMBL4288962

SCHEMBL4288962

OCC(O)COCc1ccc(C#Cc2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ACACB O00763 1/20 0.34
MAPK1 P28482 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
UBE2N P61088 1/20 0.33
HTT P42858 2/20 0.31
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2032726 1.00 CASR (0.36) CASRKDM4EKMT2AMEN1CYP1A2
SCHEMBL16994594 0.89 CASR (0.37) CASRKDM4EKMT2ACA1CA2
SCHEMBL16994257 0.82 ACACB (0.33) ACACB
Glycerin SCHEMBL4438885 0.80 DHFR (0.36) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL28014833 0.79 ACACB (0.41) ACACBHPGD
SCHEMBL13749375 0.78 ACACB (0.32) CASRACACB
SCHEMBL4285689 0.78 CA1 (0.39) CASRKMT2AMEN1CA1CA2
SCHEMBL4289284 0.78 ACACB (0.41) ACACB
SCHEMBL5026917 0.75 CHRM3 (0.33) CASRKMT2AMEN1CA1CA2
SCHEMBL13339371 0.75 KDM4E (0.43) KDM4EKMT2AMEN1CYP1A2CYP2C19

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-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
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-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
EP-1888748-A2 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) 2008-02-20 EP disclosed
WO-2006125447-A2 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) 2006-11-30 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-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 CASR 3419/4885KDM4E 4588/4885KMT2A 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.