SCHEMBL3969772

SCHEMBL3969772

CCOC(=O)CC1CCCC(CC(=O)c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 4/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
LMNA P02545 1/20 0.40
CHRNB2 P17787 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC18A2 Q05940 1/20 0.40

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
SCHEMBL3593228 0.82 L3MBTL1 (0.63) L3MBTL1TP53KMT2AMEN1NPC1
SCHEMBL8243047 0.79 KMT2A (0.41) L3MBTL1TP53KMT2AALDH1A1MAPT
SCHEMBL8277704 0.77 KMT2A (0.40) L3MBTL1TP53KMT2AALDH1A1CYP1A2
SCHEMBL9968593 0.76 KMT2A (0.39) L3MBTL1TP53KMT2AALDH1A1CYP1A2
SCHEMBL27684837 0.75 KMT2A (0.38) L3MBTL1TP53KMT2AMAPTCYP1A2
Toluene SCHEMBL28301657 0.75 NPC1 (0.48) L3MBTL1KMT2AMEN1NPC1ALDH1A1
SCHEMBL3969774 0.74 L3MBTL1 (0.45) L3MBTL1TP53ALDH1A1MAPTKDM4E
SCHEMBL3967641 0.73 TLR4 (0.46) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL8276670 0.73 KMT2A (0.37) L3MBTL1TP53KMT2AMEN1ALDH1A1
SCHEMBL9442546 0.72 KMT2A (0.36) L3MBTL1TP53KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748982-B1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2009-07-29 EP disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 US disclosed
EP-1748982-A1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2007-02-07 EP disclosed
WO-2005108362-A1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2005-11-17 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-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease APP, BACE1, CHAT L3MBTL1 3182/4885TP53 1962/4885KMT2A 3040/4885

“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.