SCHEMBL836836

SCHEMBL836836

CCc1cccc([Mg]Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MGLL Q99685 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
BCL2 P10415 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
IDO1 P14902 1/20 0.36
TRPA1 O75762 1/20 0.35
KIF11 P52732 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL1124266 0.83 CNR1 (0.38) KIF11SIGMAR1
SCHEMBL9637154 0.78 FOLH1 (0.42) IDO1
SCHEMBL16266794 0.78
SCHEMBL7850102 0.78 TP53 (0.42) TP53MGLLCYP1A2CYP2A6BCL2
Bromide SCHEMBL11151689 0.77 TP53 (0.41) TP53MGLLCYP1A2CYP2A6BCL2
SCHEMBL166894 0.75 TP53 (0.61) TP53MGLLCYP1A2CYP2A6BCL2
Ammonia Solution, Strong SCHEMBL28805948 0.73 TP53 (0.58) TP53MGLLCYP1A2CYP2A6BCL2
Benzene SCHEMBL9785236 0.73 TP53 (0.67) TP53MGLLCYP1A2CYP2A6BCL2
SCHEMBL28256639 0.73 TP53 (0.58) TP53MGLLCYP1A2CYP2A6BCL2
Bromide SCHEMBL8523958 0.72 XDH (0.40) TP53CYP1A2SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372468-B Hydrogenated endless [8] arene compound and preparation method thereof 清华大学 2020-11-10 CN claimed
CN-110372469-B Hydrogenated cyclo [12] arene compound and preparation method thereof 清华大学 2020-09-08 CN claimed
WO-2021012478-A1 HYDROGENATION ANNULE [12] AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR 清华大学 2021-01-28 WO disclosed
WO-2021012479-A1 HYDROGENATED CYCLIC [8] AROMATIC HYDROCARBON COMPOUND AND PREPARATION METHOD THEREFOR 清华大学 2021-01-28 WO disclosed
CN-110372468-B Hydrogenated endless [8] arene compound and preparation method thereof 清华大学 2020-11-10 CN disclosed
CN-110372469-B Hydrogenated cyclo [12] arene compound and preparation method thereof 清华大学 2020-09-08 CN disclosed
EP-3292128-A1 5'-SUBSTITUTED NUCLEOSIDE ANALOGS Eli Lilly and Company (US) 2018-03-14 EP disclosed
US-9840532-B2 5′-substituted nucleoside compounds ELI LILLY AND COMPANY (US) 2017-12-12 US disclosed
WO-2017158147-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
WO-2017158151-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
US-20160326208-A1 5'-SUBSTITUTED NUCLEOSIDE COMPOUNDS ELI LILLY AND COMPANY 2016-11-10 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US disclosed
US-4088644-A N-Acyl-3-azetidinone SCHERING-CORPORATION (US) 1978-05-09 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 (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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 TP53 2729/4885MGLL 2475/4885CYP1A2 20/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE TP53 1848/4885MGLL 3120/4885CYP1A2 2137/4885
US-20160326208-A1 5'-SUBSTITUTED NUCLEOSIDE COMPOUNDS NT5C3B, MCL1, NSUN2 TP53 52/4885MGLL 2341/4885CYP1A2 4414/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 TP53 4850/4885MGLL 396/4885CYP1A2 165/4885

“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.