SCHEMBL3964091

SCHEMBL3964091

Cc1ccccc1C(C)C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ACP3 P15309 1/20 0.42
GLS O94925 2/20 0.41
CXCL8 P10145 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CTSA P10619 1/20 0.38
CNR1 P21554 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
GAA P10253 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL8833419 0.83 ESR1 (0.46) ESR1ACP3GLSCXCL8ALDH1A1
SCHEMBL15695548 0.81 ESR1 (0.45) ESR1ACP3GLSCXCL8ALDH1A1
SCHEMBL30717242 0.81 PTGS2 (0.48) ESR1ACP3GLSCXCL8ALDH1A1
SCHEMBL7723973 0.81 ESR1 (0.45) ESR1ACP3ALDH1A1NPC1RAB9A
SCHEMBL15641407 0.81 PTGS2 (0.48) ESR1ACP3GLSCXCL8ALDH1A1
SCHEMBL362699 0.81 PTGS2 (0.48) ESR1ACP3GLSCXCL8ALDH1A1
SCHEMBL3888924 0.79 ALDH1A1 (0.44) ESR1ACP3ALDH1A1NPC1RAB9A
SCHEMBL29107358 0.79 CXCL8 (0.46) ACP3GLSCXCL8ALDH1A1
SCHEMBL8820174 0.79 ESR1 (0.43) ESR1ACP3GLSCXCL8ALDH1A1
Hydrochloric Acid SCHEMBL9402250 0.79 PTGS2 (0.47) ESR1ACP3GLSCXCL8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431510-A Organic compounds GIVAUDAN SA 2016-03-23 CN disclosed
CN-102803269-B Thieno [2,3-B ] pyrimidinedione activators of AMPK and therapeutic uses thereof POXEL (FR) 2016-01-13 CN disclosed
CN-102803269-A Thieno [2,3-B ] pyrimidinedione activators of AMPK and therapeutic uses thereof POXEL 2012-11-28 CN disclosed
US-20090304589-A1 RADIATION SENSITIVE LIPOSOMES VARIAN MEDICAL SYSTEMS,INC. (US) 2009-12-10 US disclosed
WO-2009042839-A1 RADIATION SENSITIVE LIPOSOMES VARIAN MEDICAL SYSTEMS, INC. (US) 2009-04-02 WO disclosed
US-20070105862-A1 Heat-shock protein binders ABBOTT LABORATORIES 2007-05-10 US disclosed
CN-1041596-A The preparation of stable oxapenem-3-hydroxy acid and as the application of beta-lactamase inhibitor BAYER AG (DE) 1990-04-25 CN disclosed
CN-1007248-B PROCESS FOR MANUFACTURING OF FLOOD SUGAR REDUCING MEDICINE-THIAZOLIDINEDIONS PFIZER (US) 1990-03-21 CN disclosed
CN-1031533-A Stable 1-Oxapenem-3-carboxylic acid BAYER AG (DE) 1989-03-08 CN disclosed
CN-86104075-A Preparation method of hypoglycemic agent-thiazolidinedione 1987-03-11 CN 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 (2 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-20090304589-A1 RADIATION SENSITIVE LIPOSOMES PCTP, PLTP, CETP ESR1 1654/4885ACP3 1581/4885GLS 1026/4885
US-20070105862-A1 Heat-shock protein binders HSP90AB1, HSP90AB2P, HSP90B1 ESR1 3488/4885ACP3 961/4885GLS 963/4885

“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.