SCHEMBL624926

SCHEMBL624926

[CH2]C(=O)c1ccc(OC)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
RAD52 P43351 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.57
KMT2A Q03164 4/20 0.55
TNFRSF1A P19438 1/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL1759671 0.85 MAPT (0.66) NPC1MAPTALDH1A1HPGDABCG2
SCHEMBL31575666 0.84 NPC1 (0.79) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL285924 0.84 NPC1 (0.79) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL29399711 0.82 NPC1 (0.66) NPC1MAPTALDH1A1HPGDRAD52
Peonol Methyl Ether SCHEMBL29402500 0.82 ALDH1A1 (0.67) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL2553094 0.82 NPC1 (0.66) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL154613 0.82 NPC1 (0.66) NPC1MAPTALDH1A1HPGDRAD52
Peonol Methyl Ether SCHEMBL4700333 0.82 ALDH1A1 (0.67) NPC1MAPTALDH1A1HPGDRAD52
Peonol Methyl Ether SCHEMBL246262 0.82 ALDH1A1 (0.67) NPC1MAPTALDH1A1HPGDRAD52
SCHEMBL4900211 0.82 NPC1 (0.66) NPC1MAPTALDH1A1HPGDRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 CN claimed
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer NG RAYMOND 2008-05-22 US claimed
EP-1812406-A2 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP claimed
US-20060111402-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-25 US claimed
WO-2006039215-A2 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-13 WO claimed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 CN claimed
EP-1192141-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES AS NEUROPROTECTIVE AGENTS AstraZeneca UK Limited (GB) 2002-04-03 EP claimed
EP-1140863-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES USEFUL IN THE TREATMENT OF NEUROLOGICAL DISORDERS AstraZeneca AB (SE) 2001-10-10 EP claimed
WO-2000078736-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES AS NEUROPROTECTIVE AGENTS ASTRAZENECA UK LIMITED (GB) 2000-12-28 WO claimed
WO-2000039105-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES USEFUL IN THE TREATMENT OF NEUROLOGICAL DISORDERS ASTRAZENECA AB (SE) 2000-07-06 WO claimed
EP-1812406-B1 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2018-09-12 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8586616-B2 Benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2013-11-19 US disclosed
EP-1192141-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES AS NEUROPROTECTIVE AGENTS AstraZeneca UK Limited (GB) 2002-04-03 EP disclosed
EP-1140863-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES USEFUL IN THE TREATMENT OF NEUROLOGICAL DISORDERS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000078736-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES AS NEUROPROTECTIVE AGENTS ASTRAZENECA UK LIMITED (GB) 2000-12-28 WO disclosed
WO-2000039105-A1 1,4-DIAZACYCLOHEPTANE DERIVATIVES USEFUL IN THE TREATMENT OF NEUROLOGICAL DISORDERS ASTRAZENECA AB (SE) 2000-07-06 WO disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 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 (2 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-20060111402-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) AR, NR5A1, ESRRA NPC1 1130/4885MAPT 2134/4885ALDH1A1 752/4885
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer AR, FSHR, BRDT NPC1 1348/4885MAPT 3096/4885ALDH1A1 888/4885

“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.