SCHEMBL755227

SCHEMBL755227

CC(C)(C)CCOC(=O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
ESR1 P03372 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PDE4D Q08499 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
KDR P35968 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL22198592 0.88 TSHR (0.53) LMNATSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL10076560 0.85 ALDH1A1 (0.62) LMNATSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL14985549 0.84 ESR1 (0.66) LMNATSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL21024195 0.83 CA12 (0.46) LMNATSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL20012407 0.81 TSHR (0.47) LMNATSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL18522327 0.81 MAPT (0.50) LMNATSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL11506065 0.81 CA12 (0.59) LMNATSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL14982613 0.81 TSHR (0.50) LMNATSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL13564260 0.81 TSHR (0.50) LMNATSHRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL18266820 0.80 LMNA (0.49) LMNATSHRSMN1; SMN2CYP1A2CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 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 (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-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds PIGO, MANBA, OAT LMNA 1462/4885TSHR 2205/4885SMN1; SMN2 1142/4885

“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.