SCHEMBL3605682

SCHEMBL3605682

C=C(CO)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NOS2 P35228 2/20 0.38
MGLL Q99685 1/20 0.35
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3363288 0.85
SCHEMBL951792 0.79 CES2 (0.36) CES2CES1MGLLHDAC8HDAC6
SCHEMBL1000536 0.76 MGLL (0.39) CES2CES1NOS2MGLLHDAC8
SCHEMBL11210860 0.76 CES2 (0.38) CES2CES1NOS2MGLLHDAC8
SCHEMBL16876943 0.76 TSHR (0.32) TSHR
SCHEMBL23547192 0.76 CES2 (0.38) CES2CES1NOS2MGLLHDAC8
SCHEMBL11645662 0.76 CES2 (0.32) CES2CES1NOS2ALDH1A1TSHR
SCHEMBL11211286 0.76 CES2 (0.38) CES2CES1NOS2MGLLHDAC8
SCHEMBL8464246 0.76 CES2 (0.38) CES2CES1NOS2MGLLHDAC8
SCHEMBL11598841 0.74 CES2 (0.36) CES2CES1MGLLHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266401-A Cleansing composition 株式会社新高 2017-10-20 CN disclosed
CN-105339479-A Cleaning agent composition NIITAKA CO LTD 2016-02-17 CN disclosed
CN-104812882-A Cleaning agent composition NIITAKA CO LTD 2015-07-29 CN disclosed
CN-104769091-A NONIONIC SURFACTANT AND METHOD FOR PRODUCING NONIONIC SURFACTANT NIITAKA CO LTD 2015-07-08 CN disclosed
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
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
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
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
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
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
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
US-5258400-A Immunosuppressive compounds for psoriasis ALLERGAN, INC. (US) 1993-11-02 US disclosed
US-5112853-A Antiarthritic, calcium channel blockers, immunosuppresive ALLERGAN, INC. (US) 1992-05-12 US disclosed
EP-0472790-A1 Asymmetric epoxidation using a chiral hydroperoxide ARCO Chemical Technology, L.P. (US) 1992-03-04 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 CES2 2407/4885CES1 1057/4885NOS2 713/4885

“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.