SCHEMBL1890195

SCHEMBL1890195

CCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL1886694 0.93 ALDH1A1 (0.46) ALDH1A1BCHEACHEMAPTCYP1A2
Azd-3043 SCHEMBL1882795 0.91 ALDH1A1 (0.46) ALDH1A1BCHEACHEMAPTCYP1A2
SCHEMBL1882466 0.90 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL29463785 0.88 ALDH1A1 (0.56) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5489263 0.88 ALDH1A1 (0.56) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL12065395 0.87 ALDH1A1 (0.51) ALDH1A1BCHEACHEMAPTCYP1A2
SCHEMBL1884070 0.86 BCHE (0.47) ALDH1A1BCHEACHEMAPTCYP1A2
SCHEMBL1888610 0.86 ALDH1A1 (0.46) ALDH1A1BCHEACHEMAPTCYP1A2
SCHEMBL1883569 0.86 ALDH1A1 (0.41) ALDH1A1BCHEACHEMAPTCYP1A2
SCHEMBL1886481 0.86 ALDH1A1 (0.44) ALDH1A1BCHEACHEMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514425-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2009-04-07 US claimed
US-20060116424-A1 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2006-06-01 US claimed
EP-1509492-B1 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION THERAVANCE INC (US) 2011-08-31 EP disclosed
EP-1509492-B1 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION THERAVANCE INC (US) 2011-08-31 EP disclosed
US-7939689-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2011-05-10 US disclosed
US-7939689-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2011-05-10 US disclosed
US-7939689-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2011-05-10 US disclosed
US-20090253787-A1 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2009-10-08 US disclosed
US-20090253787-A1 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2009-10-08 US disclosed
US-20090253787-A1 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2009-10-08 US disclosed
US-7514425-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2009-04-07 US disclosed
US-7514425-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2009-04-07 US disclosed
US-20060116424-A1 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2006-06-01 US disclosed
US-7015346-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2006-03-21 US disclosed
US-20050113364-A1 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US disclosed
US-6887866-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2005-05-03 US disclosed
EP-1509492-A2 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION Theravance, Inc. (US) 2005-03-02 EP disclosed
WO-2004037750-A2 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2004-05-06 WO disclosed
WO-2004037750-A2 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2004-05-06 WO disclosed
US-20030153554-A1 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2003-08-14 US 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 (4 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-20090253787-A1 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION GABRA5, GABRA6, GABRA2 ALDH1A1 787/4885BCHE 1756/4885ACHE 706/4885
US-20050113364-A1 Short-acting sedative hypnotic agents for anesthesia and sedation GABRA5, GABRA6, GABRA2 ALDH1A1 787/4885BCHE 1756/4885ACHE 706/4885
US-20030153554-A1 Short-acting sedative hypnotic agents for anesthesia and sedation GABRA5, GABRA6, GABRA2 ALDH1A1 787/4885BCHE 1756/4885ACHE 706/4885
US-20060116424-A1 Short-acting sedative hypnotic agents for anesthesia and sedation GABRA5, GABRA6, GABRA2 ALDH1A1 787/4885BCHE 1756/4885ACHE 706/4885

“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.