SCHEMBL16505517

SCHEMBL16505517

CCOC(=O)c1nc(Br)ccc1NC(C)COC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.40
▸ HCAR3 P49019 2/20 0.40
▸ TARBP2 Q15633 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CDC25B P30305 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL16517618 0.85 HCAR3 (0.48) HCAR3ALDH1A1KDM4ETDP1RAB9A
SCHEMBL16505959 0.80 PTGER4 (0.57) PTGER4HCAR3TARBP2ALDH1A1KDM4E
SCHEMBL16505575 0.79 ALOX5 (0.39) PTGER4HCAR3TARBP2ALDH1A1KDM4E
SCHEMBL16505974 0.79 BRD4 (0.61) HCAR3ALDH1A1KDM4EBRD4MAPT
SCHEMBL19372549 0.79 TARBP2 (0.44) TARBP2KDM4EBRD4CDC25BRAB9A
SCHEMBL16505995 0.78 TARBP2 (0.43) PTGER4TARBP2ALDH1A1KDM4EBRD4
SCHEMBL25027546 0.77 HCAR3 (0.39) HCAR3ALDH1A1KDM4ETDP1BRD4
SCHEMBL29363893 0.77 HCAR3 (0.39) HCAR3ALDH1A1KDM4ETDP1BRD4
SCHEMBL15574689 0.77 KMT2A (0.49) TARBP2ALDH1A1KDM4EBRD4RAB9A
SCHEMBL29922567 0.77 KMT2A (0.49) TARBP2ALDH1A1KDM4EBRD4RAB9A

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 PTGER4 797/4885HCAR3 829/4885TARBP2 4067/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA PTGER4 797/4885HCAR3 829/4885TARBP2 4067/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA PTGER4 797/4885HCAR3 829/4885TARBP2 4067/4885

“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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