SCHEMBL16505959

SCHEMBL16505959

CCOC(=O)c1nc(Br)ccc1NCCOC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ NPC1 O15118 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TARBP2 Q15633 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ NCF1 P14598 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37

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
SCHEMBL16505995 0.85 TARBP2 (0.43) PTGER4ALDH1A1RAB9AMAPTNPC1
SCHEMBL16517756 0.84 PTGER4 (0.50) PTGER4ALDH1A1RAB9AMAPTNPC1
SCHEMBL16506185 0.83 PTGER4 (0.46) PTGER4ALDH1A1RAB9AMAPTNPC1
SCHEMBL19372549 0.81 TARBP2 (0.44) RAB9AMAPTNPC1PKMTARBP2
SCHEMBL16505517 0.80 PTGER4 (0.40) PTGER4ALDH1A1RAB9AMAPTTARBP2
SCHEMBL15573275 0.79 HPGD (0.52) ALDH1A1MAPTNPC1GAATARBP2
SCHEMBL15574689 0.79 KMT2A (0.49) ALDH1A1RAB9AMAPTNPC1GAA
SCHEMBL29922567 0.79 KMT2A (0.49) ALDH1A1RAB9AMAPTNPC1GAA
SCHEMBL16505352 0.78 BRD4 (0.64) PTGER4ALDH1A1RAB9AMAPTGAA
SCHEMBL25028707 0.76 NCF1 (0.46) PTGER4ALDH1A1RAB9AMAPTLMNA

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 797/4885ALDH1A1 25/4885RAB9A 1654/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA PTGER4 797/4885ALDH1A1 25/4885RAB9A 1654/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA PTGER4 797/4885ALDH1A1 25/4885RAB9A 1654/4885

“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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