SCHEMBL3060297

SCHEMBL3060297

O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ EPHX2 P34913 1/20 0.46
▸ OPRD1 P41143 1/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ FABP5 Q01469 2/20 0.40
▸ FABP7 O15540 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39

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
SCHEMBL29400520 1.00 KMT2A (0.51) KMT2AEPHX2OPRD1CASP3FABP5
SCHEMBL31733654 1.00 KMT2A (0.51) KMT2AEPHX2OPRD1CASP3FABP5
SCHEMBL29995975 0.95 KMT2A (0.48) KMT2AEPHX2OPRD1CASP3FABP5
SCHEMBL30895521 0.95 KMT2A (0.48) KMT2AEPHX2OPRD1CASP3FABP5
SCHEMBL3087950 0.88 KMT2A (0.58) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL29470973 0.84 KMT2A (0.57) KMT2AEPHX2OPRD1CASP3FABP5
SCHEMBL12391727 0.84 KMT2A (0.57) KMT2AEPHX2OPRD1CASP3FABP5
SCHEMBL7855942 0.84 KMT2A (0.69) KMT2AEPHX2CASP3
SCHEMBL17015150 0.84 KMT2A (0.57) KMT2AEPHX2OPRD1CASP3FABP5
SCHEMBL30174112 0.83 KMT2A (0.59) KMT2AEPHX2OPRD1CASP3FABP5

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8734870-B2 Dendrimers and dendrimer applications NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2014-05-27 — — US disclosed
US-20110217750-A1 Dendrimers and Dendrimer Applications NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2011-09-08 — — US disclosed
US-7897733-B2 Rapamycin conjugates and antibodies PFIZER, INC. (US) 2011-03-01 — — US disclosed
US-7662782-B2 Melanocortin 1 receptor selective compounds ACTION PHARMA A/S (DK) 2010-02-16 — — US disclosed
WO-2009115580-A2 DENDRIMERS AND DENDRIMER APPLICATIONS NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2009-09-24 — — WO disclosed
EP-1181938-B1 Rapamycin conjugates and antibodies WYETH CORP (US) 2007-11-14 — — EP disclosed
US-7279561-B1 Anti-rapamycin monoclonal antibodies WYETH (US) 2007-10-09 — — US disclosed
US-7279562-B2 Rapamycin conjugates WYETH (US) 2007-10-09 — — US disclosed
US-20070027086-A1 Melanocortin 1 receptor selective compounds SZARDENINGS MICHAEL 2007-02-01 — — US disclosed
EP-1693382-A2 Melanocortin 1 receptor selective compounds Action Pharma A/S (DK) 2006-08-23 — — EP disclosed
US-6271402-B1 CULTURE PRODUCT OF FUSARIUM SP., MF6381 (ATCC 74469) MERCK & CO., INC. 2001-08-07 — — US disclosed
EP-1075492-A1 MELANOCORTIN 1 RECEPTOR SELECTIVE COMPOUNDS Wa Pharm AB (SE) 2001-02-14 — — EP disclosed
EP-1025127-A1 MSH-RECEPTOR SUBTYPE SELECTIVE CYCLIC PEPTIDES Wapharm AB (SE) 2000-08-09 — — EP disclosed
WO-2000036132-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2000-06-22 — — WO disclosed
WO-1999057148-A1 MELANOCORTIN 1 RECEPTOR SELECTIVE COMPOUNDS WA PHARM AB (SE) 1999-11-11 — — WO disclosed
WO-1998037097-A1 MSH-RECEPTOR SUBTYPE SELECTIVE CYCLIC PEPTIDES WAPHARM AB (SE) 1998-08-27 — — WO disclosed
EP-0710110-A4 RAPAMYCIN CONJUGATES AND ANTIBODIES ABBOTT LAB (US) 1997-06-18 — — EP disclosed
EP-0710110-A1 RAPAMYCIN CONJUGATES AND ANTIBODIES ABBOTT LABORATORIES (US) 1996-05-08 — — EP disclosed
WO-1994025072-A1 RAPAMYCIN CONJUGATES AND ANTIBODIES AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-10 — — WO disclosed
WO-1994025022-A1 RAPAMYCIN CONJUGATES AND ANTIBODIES ABBOTT LABORATORIES (US) 1994-11-10 — — 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 (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-20110217750-A1 Dendrimers and Dendrimer Applications ADH1A, DNPH1, SAMHD1 KMT2A 1925/4885EPHX2 313/4885OPRD1 2830/4885
US-20070027086-A1 Melanocortin 1 receptor selective compounds MC5R, MC1R, MC2R KMT2A 2343/4885EPHX2 2996/4885OPRD1 59/4885

“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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