SCHEMBL667651

SCHEMBL667651

CCCCC(C)CCC(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 2/20 0.52
ACE2 Q9BYF1 1/20 0.47
MAPT P10636 1/20 0.46
CA2 P00918 5/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 3/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
BLM P54132 1/20 0.36
SLC15A1 P46059 1/20 0.36
FDPS P14324 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
SCHEMBL1410147 0.94 ALDH1A1 (0.56) ALDH1A1TP53TSHRACE2MAPT
SCHEMBL1410472 0.91 ALDH1A1 (0.62) ALDH1A1TP53TSHRACE2MAPT
SCHEMBL1410541 0.86 TSHR (0.52) ALDH1A1TP53TSHRACE2MAPT
SCHEMBL16667714 0.86 TSHR (0.48) ALDH1A1TP53TSHRACE2MAPT
SCHEMBL23924942 0.83 ALDH1A1 (0.72) ALDH1A1TP53TSHRACE2MAPK1
SCHEMBL28194820 0.83 ALDH1A1 (0.72) ALDH1A1TP53TSHRACE2MAPK1
SCHEMBL30109011 0.83 ALDH1A1 (0.72) ALDH1A1TP53TSHRACE2MAPK1
SCHEMBL1410266 0.83 ALDH1A1 (0.56) ALDH1A1TP53TSHRACE2MAPT
SCHEMBL495398 0.83 ALDH1A1 (0.52) ALDH1A1TP53TSHRACE2MAPT
SCHEMBL495579 0.83 ALDH1A1 (0.52) ALDH1A1TP53TSHRACE2MAPT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148969-B1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS KETOGEN INC (CA) 2020-11-11 EP disclosed
EP-3148969-B1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS KETOGEN INC (CA) 2020-11-11 EP disclosed
EP-3148969-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen Inc. (CA) 2017-04-05 EP disclosed
US-20170044095-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen, Inc. (CA) 2017-02-16 US disclosed
US-20170044095-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen, Inc. (CA) 2017-02-16 US disclosed
US-20170044095-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen, Inc. (CA) 2017-02-16 US disclosed
US-9481637-B2 Compounds for the treatment of seizures and other central nervous systems disorders and conditions Ketogen Inc. (CA) 2016-11-01 US disclosed
US-9481637-B2 Compounds for the treatment of seizures and other central nervous systems disorders and conditions Ketogen Inc. (CA) 2016-11-01 US disclosed
US-9481637-B2 Compounds for the treatment of seizures and other central nervous systems disorders and conditions Ketogen Inc. (CA) 2016-11-01 US disclosed
WO-2015184542-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen Inc. (CA) 2015-12-10 WO disclosed
EP-2437718-B1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2013-03-27 EP disclosed
US-20120165517-A1 CELLULOSE DERIVATIVE, THERMO-MOLDING MATERIAL, MOLDED BODY AND METHOD FOR PREPARATION THEREOF, AND CASE FOR ELECTRIC AND ELECTRONIC DEVICES FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed
EP-2465899-A1 CELLULOSE DERIVATIVE, THERMOFORMED MATERIAL, MOLDED BODY, PRODUCTION METHOD THEREFOR, AND CASING FOR ELECTRICAL AND ELECTRONIC EQUIPMENT FUJIFILM Corporation (JP) 2012-06-20 EP disclosed
US-20120146468-A1 CELLULOSE DERIVATIVE, RESIN COMPOSITION, MOLDED BODY, METHOD FOR PREPARATION THEREOF, AND CASE FOR ELECTRIC AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2012-06-14 US disclosed
CN-102458349-A Phenol esters as perfuming ingredients FIRMENICH & CIE 2012-05-16 CN disclosed
EP-2437718-A1 PHENOL ESTER AS PERFUMING INGREDIENT Firmenich S.A. (CH) 2012-04-11 EP disclosed
US-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2012-02-23 US disclosed
US-20110098463-A1 CELLULOSE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, CELLULOSE RESIN COMPOSITION, MOLDED MATTER AND METHOD FOR MAKING THE SAME, AND ELECTRICAL AND ELECTRONIC EQUIPMENT HOUSING FUJIFILM CORPORATION (JP) 2011-04-28 US disclosed
EP-2295470-A1 CELLULOSE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF, CELLULOSE RESIN COMPOSITION, MOLDED ARTICLE AND METHOD FOR PRODUCTION THEREOF, AND HOUSING FOR ELECTROCHEMICAL DEVICE FUJIFILM Corporation (JP) 2011-03-16 EP disclosed
WO-2010140076-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2010-12-09 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 (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-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT HPD, CYP2E1, CYP2B6 ALDH1A1 1292/4885TP53 2414/4885TSHR 4085/4885
US-20170044095-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS PC, PYGB, GLS2 ALDH1A1 640/4885TP53 4855/4885TSHR 2991/4885

“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.