SCHEMBL14764694

SCHEMBL14764694

O=C(c1ccccc1)c1ccc(OCCCCCCO)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.78
PPARA Q07869 3/20 0.71
HRH4 Q9H3N8 1/20 0.63
LSS P48449 4/20 0.58
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.56
LTA4H P09960 1/20 0.56
PKM P14618 1/20 0.54
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL15525081 1.00 GAA (0.78) GAAPPARAHRH4LSSLMNA
SCHEMBL5396195 0.93 GAA (0.83) GAAPPARAHRH4LSSLMNA
SCHEMBL29102525 0.93 GAA (0.66) GAAPPARAHRH4LSSL3MBTL1
SCHEMBL2127341 0.93 PPARA (0.81) GAAPPARAHRH4LSSLMNA
SCHEMBL20624042 0.93 PPARA (0.81) GAAPPARAHRH4LSSLMNA
SCHEMBL6652325 0.93 PPARA (0.81) GAAPPARAHRH4LSSLMNA
SCHEMBL2127003 0.93 PPARA (0.81) GAAPPARAHRH4LSSLMNA
SCHEMBL14689477 0.93 PPARA (0.81) GAAPPARAHRH4LSSLMNA
SCHEMBL7114335 0.93 PPARA (0.81) GAAPPARAHRH4LSSLMNA
SCHEMBL279013 0.93 PPARA (0.81) GAAPPARAHRH4LSSLMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 US disclosed
CN-111050730-B Photoinitiator-modified polyacid polymers 登特斯普伊德特雷有限公司 2023-07-28 CN disclosed
US-11628125-B2 Photoinitiator modified polyacidic polymer DENTSPLY SIRONA INC. (US) 2023-04-18 US disclosed
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 US disclosed
EP-3675800-B1 PHOTOINITIATOR MODIFIED POLYACIDIC POLYMER DENTSPLY DETREY GMBH (DE) 2021-09-22 EP disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20210069070-A1 PHOTOINITIATOR MODIFIED POLYACIDIC POLYMER DENTSPLY SIRONA INC. (US) 2021-03-11 US disclosed
EP-3675800-A1 PHOTOINITIATOR MODIFIED POLYACIDIC POLYMER Dentsply DeTrey GmbH (DE) 2020-07-08 EP disclosed
CN-111050730-A Photoinitiator modified polyacid polymers 登特斯普伊德特雷有限公司 2020-04-21 CN disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 US disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 US disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 US disclosed
WO-2013036866-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2013-03-14 WO 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 (7 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-20210069070-A1 PHOTOINITIATOR MODIFIED POLYACIDIC POLYMER DOHH, OGDH, GGH GAA 1624/4885PPARA 1149/4885HRH4 114/4885
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR GAA 1408/4885PPARA 2428/4885HRH4 1525/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR GAA 1408/4885PPARA 2428/4885HRH4 1525/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 GAA 4299/4885PPARA 2642/4885HRH4 2911/4885
US-11628125-B2 Photoinitiator modified polyacidic polymer DOHH, OGDH, GGH GAA 1624/4885PPARA 1149/4885HRH4 114/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR GAA 1408/4885PPARA 2428/4885HRH4 1525/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR GAA 1408/4885PPARA 2428/4885HRH4 1525/4885

“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.