SCHEMBL4284462

SCHEMBL4284462

COc1ccc(C(OC[C@@H](O)COCc2ccc(I)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 2/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
APP P05067 4/20 0.44
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CHRM3 P20309 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASR P41180 2/20 0.38
TSHR P16473 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
SCHEMBL8717149 0.92 CA1 (0.53) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL2771845 0.82 CA1 (0.48) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL8752216 0.81 L3MBTL1 (0.45) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL2235140 0.81 CA1 (0.61) CA1CA2CA7CA9CASR
SCHEMBL1096481 0.81 CA1 (0.61) CA1CA2CA7CA9CASR
SCHEMBL537424 0.81 CA1 (0.61) CA1CA2CA7CA9CASR
SCHEMBL19522241 0.80 SLC6A1 (0.44) MEN1KMT2A
SCHEMBL10417501 0.80 KMT2A (0.49) MEN1KMT2AL3MBTL1CASRTSHR
SCHEMBL6667169 0.78 NPC1 (0.48) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL20742533 0.78 CTSK (0.39) CA1CA2MEN1KMT2ACA7

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 2764/4885MEN1 1046/4885

“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.