SCHEMBL4288552

SCHEMBL4288552

OCC(O)COCc1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 3/20 0.44
IDO1 P14902 2/20 0.44
APP P05067 5/20 0.42
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3414949 1.00 CA1 (0.47) CA1CA2CA7CA9HTT
SCHEMBL16270968 0.81 CA1 (0.50) CA1CA2CA7CA9HTT
SCHEMBL26505565 0.81 CA1 (0.50) CA1CA2CA7CA9HTT
SCHEMBL15219560 0.81 CA1 (0.50) CA1CA2CA7CA9HTT
SCHEMBL11354509 0.81 HTT (0.64) CA1CA2CA7CA9HTT
SCHEMBL218661 0.81 CA1 (0.70) CA1CA2CA7CA9MAPK1
SCHEMBL122306 0.81 CA1 (0.70) CA1CA2CA7CA9MAPK1
SCHEMBL508126 0.81 CA1 (0.70) CA1CA2CA7CA9MAPK1
SCHEMBL16269805 0.81 CA1 (0.70) CA1CA2CA7CA9MAPK1
SCHEMBL28775048 0.79 CYP3A4 (0.45) CA1CA2CA7CA9HTT

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 CA1 3431/4885CA2 2764/4885CA7 2597/4885

“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.