SCHEMBL3174498

SCHEMBL3174498

CCOC(=O)C(C)c1ccccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIN1 Q13526 1/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.41
PLIN1 O60240 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
NLRP3 Q96P20 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
MMP8 P22894 1/20 0.39
CASP1 P29466 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL2650310 0.82 TSHR (0.45) ALDH1A1TSHRLMNASMN1; SMN2PIN1
SCHEMBL363983 0.81 TSHR (0.48) ALDH1A1TSHRLMNASMN1; SMN2PIN1
SCHEMBL28008252 0.80 NLRP3 (0.50) ALDH1A1TSHRLMNASMN1; SMN2PIN1
SCHEMBL3728016 0.79 TSHR (0.43) ALDH1A1TSHRLMNASMN1; SMN2PIN1
SCHEMBL10858287 0.78 TSHR (0.53) ALDH1A1TSHRLMNASMN1; SMN2PIN1
SCHEMBL28008699 0.78 TSHR (0.46) ALDH1A1TSHRLMNASMN1; SMN2PIN1
SCHEMBL31074064 0.78 TSHR (0.53) ALDH1A1TSHRLMNASMN1; SMN2PIN1
SCHEMBL5843818 0.78 LMNA (0.44) ALDH1A1TSHRLMNASMN1; SMN2KMT2A
SCHEMBL16673225 0.77 TDP1 (0.51) ALDH1A1TSHRLMNASMN1; SMN2PIN1
SCHEMBL10708969 0.77 CASP1 (0.57) ALDH1A1TSHRLMNASMN1; SMN2PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666659-B2 Process for producing optically active 3-hydroxypropionic ester derivative KANEKA CORPORATION (JP) 2010-02-23 US disclosed
US-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2010-01-21 US disclosed
US-20060166342-A1 Process for producing optically active 3-hydroxypropionic ester derivative KANEKA CORPORATION (JP) 2006-07-27 US disclosed
EP-1568679-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2005-08-31 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-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE HPD, GRHPR, PAH ALDH1A1 146/4885TSHR 2517/4885LMNA 3056/4885

“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.