SCHEMBL16505974

SCHEMBL16505974

CCOC(=O)c1ncccc1NC(C)COC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.61
▸ HSD17B10 Q99714 3/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HCAR3 P49019 1/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP2 O95551 2/20 0.39
▸ ELANE P08246 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PPIA P62937 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
SCHEMBL15357784 0.85 BRD4 (0.68) BRD4HSD17B10KDM4ESMN1; SMN2HTT
SCHEMBL16505352 0.80 BRD4 (0.64) BRD4HSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL16505517 0.79 PTGER4 (0.40) BRD4KDM4EHCAR3ALDH1A1HTT
SCHEMBL16505468 0.77 BRD4 (0.72) BRD4KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL29922633 0.76 BRD4 (0.79) BRD4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21830986 0.76 BRD4 (0.79) BRD4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30910867 0.75 BRD4 (0.86) BRD4HSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL1961993 0.74 KDM4E (0.47) HSD17B10KDM4EHCAR3ALDH1A1HPGD
SCHEMBL12411094 0.74 L3MBTL1 (0.54) BRD4KDM4EALDH1A1HPGDHTT
SCHEMBL25466060 0.73 KDM4E (0.49) BRD4KDM4EHCAR3ALDH1A1HTT

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-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-06-30 — — US disclosed
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — US disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — 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 (3 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-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA BRD4 1974/4885HSD17B10 314/4885KDM4E 2642/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA BRD4 1974/4885HSD17B10 314/4885KDM4E 2642/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA BRD4 1974/4885HSD17B10 314/4885KDM4E 2642/4885

“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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