SCHEMBL4791540

SCHEMBL4791540

COC(=O)c1n[nH]c2cccc(Cl)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.59
▸ STAT3 P40763 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ NR4A2 P43354 2/20 0.55
▸ GAA P10253 1/20 0.49
▸ MAP2K4 P45985 4/20 0.47
▸ TTK P33981 2/20 0.45
▸ EPHB3 P54753 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ YTHDC1 Q96MU7 1/20 0.41

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
SCHEMBL2071431 0.90 KDM4E (0.55) KDM4ESTAT3HIF1ANR4A2GAA
SCHEMBL2599805 0.83 KDM4E (0.60) KDM4ESTAT3HIF1ANR4A2LRRK2
SCHEMBL7737920 0.82 KDM4E (0.59) KDM4ESTAT3HIF1ALRRK2FLT3
SCHEMBL2862825 0.82 KDM4E (0.59) KDM4ESTAT3HIF1ANR4A2MAP2K4
SCHEMBL14271999 0.82 KDM4E (0.59) KDM4ESTAT3HIF1ANR4A2GAA
SCHEMBL7374273 0.81 GAA (0.54) GAAMAP2K4TTKEPHB3
SCHEMBL28503864 0.81 KDM4E (0.57) KDM4ESTAT3HIF1ANR4A2GAA
SCHEMBL998544 0.78 KDM4E (0.45) KDM4ESTAT3HIF1AGAAMAP2K4
SCHEMBL16517344 0.78 LRRK2 (0.55) KDM4ESTAT3HIF1ANR4A2MAP2K4
SCHEMBL997498 0.76 KDM4E (0.43) KDM4ESTAT3HIF1AMAP2K4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 — — US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
EP-1937647-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II Inpharmatica Limited (GB) 2008-07-02 — — EP disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 — — WO disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 — — 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 (4 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-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885

“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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