SCHEMBL12551564

SCHEMBL12551564

O=P(c1ccccc1)(c1ccccc1)c1cc(Cc2cc(P(=O)(c3ccccc3)c3ccccc3)cc(P(=O)(c3ccccc3)c3ccccc3)c2)cc(P(=O)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CFTR P13569 1/20 0.40
▸ CALM1 P0DP23 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALPG P10696 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 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
SCHEMBL5450490 0.86 CA2 (0.50) LMNAALDH1A1MEN1KMT2ACFTR
SCHEMBL15698178 0.85 LMNA (0.44) LMNAALDH1A1MEN1KMT2ACFTR
SCHEMBL15698175 0.82 LMNA (0.53) LMNAALDH1A1MEN1KMT2ACFTR
SCHEMBL21974589 0.81 CYP3A4 (0.38) LMNAALDH1A1MEN1KMT2ACFTR
SCHEMBL12551567 0.79 HPGD (0.45) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL3181571 0.79 LMNA (0.48) LMNAALDH1A1MEN1KMT2ACFTR
SCHEMBL14020788 0.79 LMNA (0.48) LMNAALDH1A1MEN1KMT2ACFTR
Triphenylphosphine Oxide SCHEMBL27649200 0.78 CA2 (0.52) LMNAALDH1A1MEN1KMT2ACFTR
Triphenylphosphine Oxide SCHEMBL3949 0.78 CA2 (0.58) LMNAALDH1A1MEN1KMT2ACFTR
Triphenylphosphine Oxide SCHEMBL513223 0.78 CA2 (0.58) LMNAALDH1A1MEN1KMT2ACFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
EP-2307520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-11 — — EP disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — 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 (2 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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 LMNA 1154/4885ALDH1A1 604/4885MEN1 327/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 LMNA 1154/4885ALDH1A1 604/4885MEN1 327/4885

“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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