SCHEMBL2210563

SCHEMBL2210563

CCOc1cc(CC(=O)O)ccc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 3/20 0.49
TSHR P16473 3/20 0.49
NFKB1 P19838 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CFD P00746 1/20 0.48
PTGS1 P23219 1/20 0.47
CA5A P35218 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL1883666 0.89 ALDH1A1 (0.58) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL9360555 0.89 GAA (0.56) ALDH1A1MAPTGAATSHRNFKB1
SCHEMBL6221035 0.89 GAA (0.56) ALDH1A1MAPTGAATSHRNFKB1
Hydrochloric Acid SCHEMBL2525777 0.87 ALDH1A1 (0.57) RXRARXRBRXRGALDH1A1MAPT
Methane SCHEMBL10372267 0.87 GAA (0.54) ALDH1A1MAPTGAATSHRNFKB1
Bromide SCHEMBL10998875 0.87 ALDH1A1 (0.57) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL31321633 0.86 AKT1 (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3327028 0.84 GAA (0.64) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL2729631 0.84 PTGS1 (0.64) ALDH1A1MAPTGAATSHRNFKB1
SCHEMBL9865963 0.84 ALOX15 (0.60) ALDH1A1GAATSHRNFKB1TDP1

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-7981931-B2 Pharmaceutical compositions of short-acting sedative hypnotic agent THERAVANCE, INC. (US) 2011-07-19 US disclosed
US-7981931-B2 Pharmaceutical compositions of short-acting sedative hypnotic agent THERAVANCE, INC. (US) 2011-07-19 US disclosed
US-7981931-B2 Pharmaceutical compositions of short-acting sedative hypnotic agent THERAVANCE, INC. (US) 2011-07-19 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-7790766-B2 Comprising [4-[(N,N-diethylcarbamoyl)methoxy]-3-ethoxyphenyl]acetic acid propyl ester, a water-immiscible solvent, an emulsifier, a tonicity modifier, 0.05-0.2% by weight histidine, and water,wherein pH is greater than 7 and wherein composition contains a preservative THERAVANCE, INC. (US) 2010-09-07 US disclosed
US-7790766-B2 Comprising [4-[(N,N-diethylcarbamoyl)methoxy]-3-ethoxyphenyl]acetic acid propyl ester, a water-immiscible solvent, an emulsifier, a tonicity modifier, 0.05-0.2% by weight histidine, and water,wherein pH is greater than 7 and wherein composition contains a preservative THERAVANCE, INC. (US) 2010-09-07 US disclosed
US-7790766-B2 Comprising [4-[(N,N-diethylcarbamoyl)methoxy]-3-ethoxyphenyl]acetic acid propyl ester, a water-immiscible solvent, an emulsifier, a tonicity modifier, 0.05-0.2% by weight histidine, and water,wherein pH is greater than 7 and wherein composition contains a preservative THERAVANCE, INC. (US) 2010-09-07 US disclosed
US-20100076079-A1 Pharmaceutical Compositions Of Short-Acting Sedative Hypnotic Agent THERAVANCE BIOPHARMA R&D IP, LLC 2010-03-25 US disclosed
US-20100076079-A1 Pharmaceutical Compositions Of Short-Acting Sedative Hypnotic Agent THERAVANCE BIOPHARMA R&D IP, LLC 2010-03-25 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
EP-1648413-B1 PHARMACEUTICAL COMPOSITIONS OF SHORT-ACTING SEDATIVE HYPNOTIC AGENT THERAVANCE INC (US) 2009-10-07 EP 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
EP-1648413-A2 PHARMACEUTICAL COMPOSITIONS OF SHORT-ACTING SEDATIVE HYPNOTIC AGENT Theravance, Inc. (US) 2006-04-26 EP disclosed
WO-2005009420-A2 PHARMACEUTICAL COMPOSITIONS OF SHORT-ACTING SEDATIVE HYPNOTIC AGENT THERAVANCE, INC. (US) 2005-02-03 WO disclosed
WO-2005009420-A2 PHARMACEUTICAL COMPOSITIONS OF SHORT-ACTING SEDATIVE HYPNOTIC AGENT THERAVANCE, INC. (US) 2005-02-03 WO disclosed
US-20050020674-A1 Comprising [4-[(N,N-diethylcarbamoyl)methoxy]-3-ethoxyphenyl]acetic acid propyl ester, a water-immiscible solvent, an emulsifier, a tonicity modifier, 0.05-0.2% by weight histidine, and water,wherein pH is greater than 7 and wherein composition contains a preservative THERAVANCE BIOPHARMA R&D IP, LLC 2005-01-27 US disclosed
WO-2004037750-A2 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2004-05-06 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 (3 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-20100076079-A1 Pharmaceutical Compositions Of Short-Acting Sedative Hypnotic Agent GABRA5, GABRA6, GABRA1 RXRA 139/4885RXRB 440/4885RXRG 283/4885
US-20090253787-A1 SHORT-ACTING SEDATIVE HYPNOTIC AGENTS FOR ANESTHESIA AND SEDATION GABRA5, GABRA6, GABRA2 RXRA 136/4885RXRB 273/4885RXRG 214/4885
US-20050020674-A1 Comprising [4-[(N,N-diethylcarbamoyl)methoxy]-3-ethoxyphenyl]acetic acid propyl ester, a water-immiscible solvent, an emulsifier, a tonicity modifier, 0.05-0.2% by weight histidine, and water,wherein pH is greater than 7 and wherein composition contains a preservative H1-0, H1-4, DDC RXRA 785/4885RXRB 1213/4885RXRG 1252/4885

“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.