SCHEMBL4093572

SCHEMBL4093572

CC(Br)Oc1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
MAOB P27338 8/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL17911612 0.87 MTNR1A (0.40) ALDH1A1KDM4EGAAKMT2A
SCHEMBL8384042 0.85 NPC1 (0.49) HSD17B10MAOBALDH1A1KDM4EMITF
SCHEMBL1204347 0.85 NPC1 (0.49) HSD17B10MAOBALDH1A1KDM4EMITF
SCHEMBL29731196 0.85 NPC1 (0.49) HSD17B10MAOBALDH1A1KDM4EMITF
SCHEMBL1222745 0.83 LMNA (0.48) HSD17B10MAOBALDH1A1KDM4EMITF
SCHEMBL929697 0.82 MITF (0.45) HSD17B10MAOBALDH1A1KDM4EMITF
SCHEMBL11582759 0.82 HSD17B10 (0.44) HSD17B10MAOBALDH1A1KDM4EMITF
SCHEMBL5830779 0.80 HSD17B10 (0.47) HSD17B10MAOBALDH1A1KDM4EMITF
SCHEMBL3702211 0.80 HSD17B10 (0.43) HSD17B10MAOBALDH1A1KDM4EMITF
SCHEMBL3395414 0.79 ACHE (0.54) ALDH1A1GAARECQLLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 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 (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-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG HSD17B10 4229/4885MAOB 4303/4885ALDH1A1 4028/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG HSD17B10 4229/4885MAOB 4303/4885ALDH1A1 4028/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES HSD17B10 2906/4885MAOB 4618/4885ALDH1A1 3467/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES HSD17B10 2906/4885MAOB 4618/4885ALDH1A1 3467/4885

“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.