SCHEMBL7913167

SCHEMBL7913167

C=C1c2ccc(OC)cc2COc2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.52
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
METAP1 P53582 2/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 2/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7918568 0.90 MAPT (0.53) APPMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7913164 0.85 ALDH1A1 (0.69) APPMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL13382951 0.79 ALDH1A1 (0.71) APPMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2000611 0.79 APP (0.41) APPMAPTSMN1; SMN2NPC1METAP1
SCHEMBL7920372 0.78 METAP1 (0.48) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7808175 0.72 MAPT (0.69) APPMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL18535881 0.71 METAP1 (0.66) ALDH1A1METAP1CYP3A4ALOX15
SCHEMBL802622 0.71 MAOB (0.57) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL13939922 0.69 MAPT (0.69) APPMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL19946102 0.69 AAK1 (0.48) MAPTSMN1; SMN2KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 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 (1 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-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP APP 3/4885MAPT 788/4885SMN1; SMN2 2585/4885

“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.