SCHEMBL3557701

SCHEMBL3557701

C=C(C)C(=O)c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ PDK2 Q15119 12/20 0.41
▸ APEX1 P27695 1/20 0.40
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35

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
SCHEMBL14768863 0.91 PDK2 (0.45) PDK2APEX1MMP2MMP9MMP8
SCHEMBL18682727 0.90 APEX1 (0.43) THRATHRBPDK2APEX1
SCHEMBL28776646 0.88 PDK2 (0.51) PDK2APEX1MMP2MMP9MMP8
SCHEMBL28871391 0.88 PDK2 (0.51) PDK2APEX1MMP2MMP9MMP8
SCHEMBL13497474 0.87 PDK2 (0.42) PDK2APEX1MMP2MMP9MMP8
SCHEMBL25070269 0.85 APEX1 (0.47) PDK2APEX1
SCHEMBL4821046 0.85 APEX1 (0.47) PDK2APEX1
SCHEMBL3559881 0.84 PDK2 (0.41) PDK2APEX1MMP2MMP9MMP8
SCHEMBL3560148 0.84 PDK2 (0.39) PDK2APEX1MMP2MMP9MMP8
SCHEMBL4822886 0.84 PDK2 (0.43) PDK2APEX1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7663301-B2 for use as robust red organic phosphors GENERAL ELECTRIC COMPANY (US) 2010-02-16 — — US disclosed
WO-2006076247-A2 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-20 — — WO disclosed
US-20060152149-A1 Porphyrin compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 — — 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-20060152149-A1 Porphyrin compositions ACP1, MMS19, MVD THRA 1742/4885THRB 2019/4885PDK2 1743/4885

“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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