SCHEMBL3602796

SCHEMBL3602796

O=C(O)CC1CCCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 3/20 0.47
CA6 P23280 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.41
LMNA P02545 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
SCHEMBL11089825 1.00 KDM4E (0.49) KDM4ECA1CA2CA4CA6
SCHEMBL11086697 1.00 KDM4E (0.49) KDM4ECA1CA2CA4CA6
SCHEMBL10505153 1.00 KDM4E (0.49) KDM4ECA1CA2CA4CA6
SCHEMBL2764882 0.98 KDM4E (0.50) KDM4ECA1CA2CA4CA6
SCHEMBL8433568 0.96 KDM4E (0.49) KDM4ECA1CA2CA4CA6
SCHEMBL1918364 0.92 L3MBTL1 (0.46) KDM4ECA1CA2CA4CA6
SCHEMBL1981599 0.82 CA1 (0.46) KDM4ECA1CA2CA4CA6
SCHEMBL28365490 0.82 CA1 (0.46) KDM4ECA1CA2CA4CA6
SCHEMBL1978465 0.82 CA1 (0.46) KDM4ECA1CA2CA4CA6
SCHEMBL29851911 0.81 KDM4E (0.62) KDM4ECA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
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
EP-0212588-B1 Saturated cycloalkyl [b] pyrrole-1(2H)-acetic acid amides and derivatives thereof WARNER-LAMBERT COMPANY (US) 1989-12-06 EP disclosed
US-4758585-A Saturated cycloalkyl (B) pyrrol-1 (2H)- acetic acid amides and derivatives thereof WARNER-LAMBERT COMPANY (US) 1988-07-19 US disclosed
EP-0212588-A1 Saturated cycloalkyl [b] pyrrole-1(2H)-acetic acid amides and derivatives thereof WARNER-LAMBERT COMPANY (US) 1987-03-04 EP 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 KDM4E 2576/4885CA1 245/4885CA2 1818/4885

“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.