SCHEMBL16505468

SCHEMBL16505468

CCNc1cccnc1C(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.72
▸ HTT P42858 1/20 0.45
▸ TDP2 O95551 2/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PPIA P62937 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL16505352 0.85 BRD4 (0.64) BRD4HTTTP53RAB9ASMN1; SMN2
SCHEMBL21830986 0.84 BRD4 (0.79) BRD4HTTTP53NPC1RAB9A
SCHEMBL29922633 0.84 BRD4 (0.79) BRD4HTTTP53NPC1RAB9A
SCHEMBL27481112 0.82 BRD4 (0.50) BRD4HTTALDH1A1LMNAIDO1
SCHEMBL15357784 0.82 BRD4 (0.68) BRD4HTTTDP2PDE4AELANE
SCHEMBL30910867 0.82 BRD4 (0.86) BRD4HTTTP53NPC1RAB9A
SCHEMBL28051960 0.80 MKNK1 (0.50) BRD4HTTRAB9ASMN1; SMN2MAPT
SCHEMBL108857 0.79 BRD4 (0.63) BRD4HTTTDP2PDE4AELANE
SCHEMBL18992944 0.78 BRD4 (0.44) BRD4ALDH1A1IDO1KDM4EGRM5
SCHEMBL16505651 0.78 BRD4 (0.62) BRD4HTTTDP2PDE4AELANE

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 1974/4885HTT 3172/4885TDP2 2363/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA BRD4 1974/4885HTT 3172/4885TDP2 2363/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA BRD4 1974/4885HTT 3172/4885TDP2 2363/4885

“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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