SCHEMBL1993896

SCHEMBL1993896

CC=C1c2cc(Br)ccc2Oc2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
AHR P35869 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
STK17B O94768 1/20 0.38
GSK3B P49841 1/20 0.38
BLK P51451 1/20 0.38
CDK5 Q00535 1/20 0.38
TEK Q02763 1/20 0.38
BTK Q06187 1/20 0.38
ITK Q08881 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL1993895 1.00 APP (0.42) APPMEN1KMT2ASMN1; SMN2AHR
SCHEMBL2000611 0.81 APP (0.41) APPMEN1KMT2ASMN1; SMN2AHR
SCHEMBL2584754 0.72 CA12 (0.40) APPMEN1KMT2ASMN1; SMN2AHR
SCHEMBL21333117 0.71 ABL1 (0.50) MEN1KMT2AALDH1A1HSP90AA1
SCHEMBL2371679 0.69 APP (0.35) APPMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL2371675 0.69 APP (0.35) APPMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL15458516 0.68 GAA (0.42) MEN1KMT2AAHRNPC1MAPT
SCHEMBL1758214 0.67 S100A4 (0.55) APPCA9ALDH1A1
SCHEMBL28731104 0.66
SCHEMBL7913164 0.66 ALDH1A1 (0.69) APPKMT2ASMN1; SMN2NPC1MAPT

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 5 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
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP 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 3/4885MEN1 4037/4885KMT2A 3308/4885

“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.