SCHEMBL16505352

SCHEMBL16505352

CCOC(=O)c1ncccc1NCCOC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.64
▸ PTGER4 P35408 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ UTS2R Q9UKP6 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 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
SCHEMBL16505468 0.85 BRD4 (0.72) BRD4ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL28051782 0.82 PTGER4 (0.47) BRD4PTGER4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16505974 0.80 BRD4 (0.61) BRD4ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8567716 0.79 HTT (0.62) BRD4PTGER4ALDH1A1MAPTRAB9A
SCHEMBL16505959 0.78 PTGER4 (0.57) BRD4PTGER4ALDH1A1MAPTRAB9A
SCHEMBL29922633 0.78 BRD4 (0.79) BRD4ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL11159304 0.78 KDM4E (0.62) PTGER4ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL21830986 0.78 BRD4 (0.79) BRD4ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL15357784 0.77 BRD4 (0.68) BRD4MAPTRAB9ASMN1; SMN2HTT
SCHEMBL30910867 0.77 BRD4 (0.86) BRD4ALDH1A1MAPTRAB9ASMN1; SMN2

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 1974/4885PTGER4 797/4885ALDH1A1 25/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA BRD4 1974/4885PTGER4 797/4885ALDH1A1 25/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA BRD4 1974/4885PTGER4 797/4885ALDH1A1 25/4885

“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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