SCHEMBL13749320

SCHEMBL13749320

CC[C@@H](C)COCc1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ APP P05067 12/20 0.42
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ PMP22 Q01453 1/20 0.37

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
SCHEMBL19232139 0.83 HPGD (0.43) CYP3A4IDO1HPGDHTTCYP1A2
SCHEMBL14866839 0.83 AGXT (0.45) IDO1HPGDHTT
SCHEMBL13003073 0.81 TSHR (0.54) HTT
SCHEMBL10052366 0.81 TSHR (0.54) HTT
SCHEMBL28775048 0.79 CYP3A4 (0.45) CYP3A4IDO1APPHPGDHTT
SCHEMBL14866959 0.79 APP (0.42) APPHPGDHTT
SCHEMBL14866825 0.79 IDO1 (0.47) IDO1
SCHEMBL9256064 0.76 MAPT (0.62) —
SCHEMBL9256061 0.76 MAPT (0.62) —
SCHEMBL745219 0.76 CYP3A4 (0.54) CYP3A4IDO1APP

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 2 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
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

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 CYP3A4 3790/4885IDO1 1621/4885APP 4576/4885

“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.

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