SCHEMBL4445459

SCHEMBL4445459

CC(C)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TAAR1 Q96RJ0 5/20 0.46
SLC6A2 P23975 3/20 0.46
FDPS P14324 1/20 0.45
CYP2D6 P10635 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
POLB P06746 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL14713913 0.90 TRPA1 (0.47) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
SCHEMBL14713247 0.88 TRPA1 (0.46) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
SCHEMBL607846 0.83 TRPA1 (0.48) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
SCHEMBL1152085 0.83 TRPA1 (0.48) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
Hydrochloric Acid SCHEMBL8841085 0.81 TRPA1 (0.47) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
Hydrochloric Acid SCHEMBL8841084 0.81 TRPA1 (0.47) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
SCHEMBL25043590 0.80 TRPA1 (0.55) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
Ammonia Solution, Strong SCHEMBL6572415 0.80 TRPA1 (0.50) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
SCHEMBL6577648 0.79 TRPA1 (0.46) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
SCHEMBL11101887 0.79 TAAR1 (0.47) TRPA1CYP1A2CYP2C9CYP2C19TAAR1

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-1937407-B1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2015-04-22 EP disclosed
US-8470982-B2 Solutions of anhydrous lanthanide salts and its preparation LUDWIG-MAXIMILIANS-UNIVERSITAET (DE) 2013-06-25 US disclosed
US-8470982-B2 Solutions of anhydrous lanthanide salts and its preparation LUDWIG-MAXIMILIANS-UNIVERSITAET (DE) 2013-06-25 US disclosed
US-8470982-B2 Solutions of anhydrous lanthanide salts and its preparation LUDWIG-MAXIMILIANS-UNIVERSITAET (DE) 2013-06-25 US disclosed
US-20090326235-A1 Solutions of anhydrous lanthanide salts and its preparation LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2009-12-31 US disclosed
EP-1937407-A1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION Ludwig-Maximilians-Universität München (DE) 2008-07-02 EP disclosed
WO-2007026014-A1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2007-03-08 WO disclosed
WO-2007026014-A1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2007-03-08 WO disclosed
EP-1759765-A1 Solutions of anhydrous lanthanide salts and its preparation Ludwig-Maximilians-Universität München (DE) 2007-03-07 EP disclosed
EP-1759765-A1 Solutions of anhydrous lanthanide salts and its preparation Ludwig-Maximilians-Universität München (DE) 2007-03-07 EP 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-20090326235-A1 Solutions of anhydrous lanthanide salts and its preparation SLC39A3, AQP3, IKZF3 TRPA1 2942/4885CYP1A2 3020/4885CYP2C9 2251/4885

“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.