SCHEMBL921452

SCHEMBL921452

Cc1cccc(Oc2cc[c]cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ACHE P22303 2/20 0.52
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
AR P10275 3/20 0.49
GAA P10253 2/20 0.49
LYN P07948 1/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
GFER P55789 2/20 0.42
MAPK1 P28482 1/20 0.42
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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
Water SCHEMBL27786743 0.85 ALDH1A1 (0.68) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL10013917 0.85 ALDH1A1 (0.80) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL14159539 0.85 ALDH1A1 (0.80) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL29398372 0.85 ALDH1A1 (0.72) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL456868 0.85 ALDH1A1 (0.72) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL29746015 0.85 ALDH1A1 (0.72) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL441890 0.83 ALDH1A1 (0.70) ALDH1A1L3MBTL1HTTTDP1ACHE
Diphenylether SCHEMBL10909478 0.83 ALDH1A1 (0.70) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL29377828 0.83 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTTDP1ACHE
SCHEMBL1688852 0.83 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTTDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP claimed
JP-2005536450-A 2005-12-02 JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO claimed
CN-109641890-B Isocitrate Dehydrogenase (IDH) inhibitors 浙江迈同生物医药有限公司 2022-04-26 CN disclosed
CN-112154149-A Novel vinylphosphines and photoinitiators obtainable therefrom 汉斯约尔格·格吕茨马赫 2020-12-29 CN disclosed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1230219-A1 AROMATIC SULFONS HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. Searle & Co. (US) 2002-08-14 EP disclosed
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR PHARMACIA CORPORATION 2001-11-08 US disclosed
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR BARTA THOMAS E (US) 2001-08-16 US disclosed
CN-1279669-A Aromatic sulfone hydroxamic acid metalloprotease inhibitors SEARLE & CO (US) 2001-01-10 CN disclosed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP disclosed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO disclosed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 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 (4 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 ALDH1A1 2744/4885L3MBTL1 3469/4885HTT 4559/4885
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 ALDH1A1 535/4885L3MBTL1 4498/4885HTT 1062/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 ALDH1A1 535/4885L3MBTL1 4498/4885HTT 1062/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 ALDH1A1 4326/4885L3MBTL1 779/4885HTT 450/4885

“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.