SCHEMBL4544648

SCHEMBL4544648

c1ccc2oc(-c3ccncc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.67
ALDH1A1 P00352 5/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
NPC1 O15118 8/20 0.66
RAB9A P51151 6/20 0.66
ATM Q13315 1/20 0.66
HPGD P15428 4/20 0.60
TP53 P04637 3/20 0.60
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
PIK3CB P42338 2/20 0.60
PIK3CA P42336 1/20 0.60
TSHR P16473 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MET P08581 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57

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
SCHEMBL23079977 0.92 NPC1 (0.66) HSD17B10ALDH1A1MEN1KMT2ANPC1
SCHEMBL23079606 0.90 NPC1 (0.64) HSD17B10ALDH1A1MEN1KMT2ANPC1
SCHEMBL23079702 0.90 NPC1 (0.64) HSD17B10ALDH1A1MEN1KMT2ANPC1
SCHEMBL13621002 0.89 NPC1 (0.58) HSD17B10ALDH1A1MEN1KMT2ANPC1
SCHEMBL31170 0.88 NPC1 (0.81) HSD17B10ALDH1A1MEN1KMT2ANPC1
SCHEMBL25544770 0.87 NPC1 (0.56) HSD17B10ALDH1A1MEN1KMT2ANPC1
2-Phenylbenzo[D]Oxazole SCHEMBL2458370 0.86 NPC1 (0.72) HSD17B10ALDH1A1MEN1KMT2ANPC1
2-Phenylbenzo[D]Oxazole SCHEMBL31738605 0.86 NPC1 (0.72) HSD17B10ALDH1A1MEN1KMT2ANPC1
2-Phenylbenzo[D]Oxazole SCHEMBL29767802 0.86 NPC1 (0.72) HSD17B10ALDH1A1MEN1KMT2ANPC1
Methane SCHEMBL29265168 0.86 NPC1 (0.79) HSD17B10ALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232156-A Dinuclear cuprous cluster luminescent material based on chelating phosphine ligand and fluorescence sensing thereof 中国计量大学 2022-10-25 CN claimed
CN-104178131-B A kind of cuprous complex luminescent material of mixed matching of Han oxazolyl pyridine ligand CHINA JILIANG UNIVERSITY (CN) 2016-05-25 CN claimed
CN-103694263-B A kind of zinc bromide complex luminescent material and preparation method thereof CHINA JILIANG UNIVERSITY (CN) 2016-05-18 CN claimed
CN-103588798-B A kind of zinc nitrate complex luminescent material CHINA JILIANG UNIVERSITY (CN) 2016-05-18 CN claimed
CN-104140808-B A kind of cuprous complex luminescent material of tetrahedral of Han oxazolyl pyridine ligand CHINA JILIANG UNIVERSITY (CN) 2016-02-10 CN claimed
CN-104178131-A Mixed cuprous complex luminescent material containing oxazolyl pyridine ligand UNIV JILIANG CHINA 2014-12-03 CN claimed
CN-104140808-A Tetrahedral cuprous complex luminescent material containing oxazolyl pyridine ligands UNIV JILIANG CHINA 2014-11-12 CN claimed
CN-103694263-A Zinc bromide complex light emitting material and preparation method thereof UNIV JILIANG CHINA 2014-04-02 CN claimed
CN-102899029-B Luminescent material of cuprous iodide complex and preparation method thereof UNIV JILIANG CHINA 2014-04-02 CN claimed
CN-102719237-B Zn(II) complex luminescent material and its preparation method UNIV JILIANG CHINA 2014-02-26 CN claimed
CN-103588798-A Zinc nitrate complex luminescence material UNIV JILIANG CHINA 2014-02-19 CN claimed
CN-102899029-A Luminescent material of cuprous iodide complex and preparation method thereof UNIV JILIANG CHINA 2013-01-30 CN claimed
CN-102719237-A Zn(II) complex luminescent material and its preparation method UNIV JILIANG CHINA 2012-10-10 CN claimed
CN-118108759-A Binuclear cuprous complex luminescent material and fluorescent sensing application of binuclear cuprous complex luminescent material to VOC (volatile organic compounds) such as acetophenone 中国计量大学 2024-05-31 CN disclosed
EP-4019607-B1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INT (FR) 2024-05-15 EP disclosed
US-20240052235-A1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (FR) 2024-02-15 US disclosed
US-5849765-A Tetrahydropyridine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME, LTD. (GB) 1998-12-15 US disclosed
EP-0806419-A1 Benzoxazole derivatives as serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA LTD. (JP) 1997-11-12 EP disclosed
US-4169200-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1979-09-25 US disclosed
US-4127579-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1978-11-28 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 (1 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-20240052235-A1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM EYA3, LAGE3, CDKL5 HSD17B10 3727/4885ALDH1A1 2987/4885MEN1 1931/4885

“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.