SCHEMBL755548

SCHEMBL755548

COCc1ccc(COC)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
CA2 P00918 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
PRKCE Q02156 2/20 0.34
MYLK Q15746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PRKCG P05129 1/20 0.34
PRKCA P17252 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDK2 Q15119 1/20 0.34
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL31063157 0.88 MEN1 (0.32) PTPN1CA2LMNAMEN1KMT2A
SCHEMBL31063377 0.86 HSD17B10 (0.36) PTPN1MEN1KMT2AMAPTPRKCE
SCHEMBL5936401 0.83 PTPN1 (0.39) PTPN1CA2LMNATP53MEN1
SCHEMBL4799519 0.83 PTPN1 (0.41) PTPN1CA2LMNATP53MAPT
SCHEMBL15335397 0.81 PTPN1 (0.31) PTPN1MAPTALDH1A1TDP1
SCHEMBL4799391 0.81 PYCR1 (0.43) LMNAMEN1KMT2AMAPTPRKCE
SCHEMBL31063531 0.81 SLC6A4 (0.46) CA2
SCHEMBL4965724 0.80 LMNA (0.40) PTPN1CA2LMNATP53MEN1
SCHEMBL21362566 0.79 L3MBTL1 (0.41) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL6603605 0.79 APLNR (0.44) CA2MAOBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-0975710-B2 POLYMER ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2009-06-10 EP disclosed
EP-0975710-B1 POLYMER ELECTROLUMINESCENT DEVICE KONINKL PHILIPS ELECTRONICS NV (NL) 2003-09-10 EP disclosed
EP-1310540-A1 Polymer electroluminescent device Koninklijke Philips Electronics N.V. (NL) 2003-05-14 EP disclosed
US-20020001732-A1 POLYMER ELECTROLUMINESCENT DEVICE U.S. PHILIPS CORPORATION 2002-01-03 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTPN1 3025/4885CA2 4439/4885LMNA 2945/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTPN1 3025/4885CA2 4439/4885LMNA 2945/4885

“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.