SCHEMBL3170986

SCHEMBL3170986

CC(C)C(C)(C)[SiH2]Oc1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.38
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAOA P21397 1/20 0.35
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.33
MITF O75030 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3182558 0.83 SMN1; SMN2 (0.37) MAOBALDH1A1GAAMAPTLMNA
SCHEMBL7719268 0.78 RIPK1 (0.38) KDM4EALDH1A1MAOAMAPK1CYP1A2
SCHEMBL10466507 0.72 CYP1A2 (0.45) CYP1A2
SCHEMBL7062445 0.70 MTNR1A (0.31) SLC6A4SLC6A3
SCHEMBL9718082 0.69 MAOB (0.37) MAOBHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL1204347 0.69 NPC1 (0.49) MAOBHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8384042 0.69 NPC1 (0.49) MAOBHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL4194354 0.69 MAOB (0.46) MAOBKDM4EALDH1A1MAPK1CYP1A2
SCHEMBL31275767 0.69 MAOB (0.46) MAOBKDM4EALDH1A1MAPK1CYP1A2
SCHEMBL29731196 0.69 NPC1 (0.49) MAOBHSD17B10KDM4EALDH1A1MAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 US disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 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 (6 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-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG MAOB 4303/4885HSD17B10 4229/4885KDM4E 3404/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG MAOB 4303/4885HSD17B10 4229/4885KDM4E 3404/4885
US-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN MAOB 4854/4885HSD17B10 4180/4885KDM4E 1893/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES MAOB 4618/4885HSD17B10 2906/4885KDM4E 4225/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES MAOB 4618/4885HSD17B10 2906/4885KDM4E 4225/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN MAOB 4854/4885HSD17B10 4180/4885KDM4E 1893/4885

“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.