SCHEMBL3969774

SCHEMBL3969774

CCC(C(=O)O)C1CCCC(CC(=O)c2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.45
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
LMNA P02545 1/20 0.41
CHRNB2 P17787 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC18A2 Q05940 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ACE P12821 1/20 0.39

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
SCHEMBL2315579 0.79 ACE (0.43) L3MBTL1TP53ACE
SCHEMBL3593228 0.77 L3MBTL1 (0.63) L3MBTL1TP53KCNH2ALDH1A1MAPT
SCHEMBL3541161 0.71 ACE (0.38) ALDH1A1CYP2D6ACE
SCHEMBL11838776 0.69 KDM4E (0.66) L3MBTL1TP53KCNH2ALDH1A1MAPT
SCHEMBL3327919 0.68 KDM4E (0.73) L3MBTL1ALDH1A1MAPTLMNAKDM4E
SCHEMBL11863329 0.67 KDM4E (0.71) L3MBTL1ALDH1A1MAPTLMNAKDM4E
SCHEMBL11836745 0.67 KDM4E (0.71) L3MBTL1ALDH1A1MAPTLMNAKDM4E
SCHEMBL3448367 0.66 KCNH2 (0.79) KCNH2CYP2D6CYP1A2TSHRNFKB1
SCHEMBL7803483 0.66 MAPT (0.49) L3MBTL1TP53KCNH2ALDH1A1MAPT
SCHEMBL829965 0.66 PPARA (0.45) ALDH1A1

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 1962/4885KCNH2 2554/4885

“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.