SCHEMBL416170

SCHEMBL416170

CCCCCCCC1CC1OC=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.34
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH4 P08319 2/20 0.33
EPHX1 P07099 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADH1B P00325 1/20 0.32
ADH7 P40394 1/20 0.32
CYP1A2 P05177 2/20 0.32
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL4272165 0.98 ALOX5 (0.41) ALOX5ALDH1A1TSHRADH1CADH1A
SCHEMBL7207291 0.81 ALOX5 (0.37) ALOX5ALDH1A1ADH1CADH1AADH4
SCHEMBL9430101 0.81 ALOX5 (0.37) ALOX5ALDH1A1TSHRADH1CADH1A
SCHEMBL17580527 0.79 ALOX5 (0.34) ALOX5ADH1CADH1AADH4EPHX1
SCHEMBL3972433 0.76 ALOX5 (0.44) ALOX5ALDH1A1TSHREPHX1POLB
SCHEMBL3971544 0.75 ALOX5 (0.43) ALOX5ALDH1A1TSHREPHX1POLB
SCHEMBL3971572 0.73 GBA1 (0.45) ALOX5ALDH1A1TSHREPHX1SPHK1
SCHEMBL29105903 0.71 ALOX5 (0.49) ALOX5ALDH1A1POLBL3MBTL1TRPV1
SCHEMBL10881821 0.71 ALOX5 (0.47) ALOX5ALDH1A1TSHRADH1CADH1A
SCHEMBL8922718 0.70 NAAA (0.54) ALOX5TSHR

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
EP-3800179-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2021-04-07 EP disclosed
EP-3656765-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-05-27 EP disclosed
EP-3653600-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-05-20 EP disclosed
EP-3650439-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-05-13 EP disclosed
EP-3636629-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-04-15 EP disclosed
EP-3287447-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2018-02-28 EP disclosed
US-9133142-B2 Salts or co-crystals of 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol GRUENENTHAL GMBH (DE) 2015-09-15 US disclosed
EP-2595971-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2013-05-29 EP disclosed
US-20120022117-A1 Salts or Co-Crystals of 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol GRUENENTHAL GMBH (DE) 2012-01-26 US disclosed
WO-2012010316-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2012-01-26 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-20120022117-A1 Salts or Co-Crystals of 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol RCC2, EP300, SIGMAR1 ALOX5 2616/4885ALDH1A1 3388/4885TSHR 4386/4885

“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.