SCHEMBL3344617

SCHEMBL3344617

COC(OC)C(Cc1ccccc1)=NO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 3/20 0.43
TSHR P16473 2/20 0.41
MGLL Q99685 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PAM P19021 2/20 0.34

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
SCHEMBL3344609 1.00 CTBP2 (0.43) CTBP2TSHRMGLLCES2CES1
SCHEMBL10147069 0.79 CTBP2 (0.47) CTBP2TSHRCES2CES1AKR1B1
SCHEMBL2586905 0.75 TSHR (0.53) TSHRCES2CES1AKR1B1CNR2
SCHEMBL11654764 0.75 CTBP2 (0.47) CTBP2TSHRMGLLCES2CES1
SCHEMBL6616395 0.75 TSHR (0.44) TSHRCES2CES1AKR1B1CNR2
SCHEMBL11654767 0.75 CTBP2 (0.47) CTBP2TSHRMGLLCES2CES1
SCHEMBL9748148 0.71 CTBP2 (0.47) CTBP2TSHRMGLLCES2CES1
SCHEMBL9748142 0.71 CTBP2 (0.47) CTBP2TSHRMGLLCES2CES1
SCHEMBL10147072 0.70 TSHR (0.44) TSHRCES2CES1AKR1B1CNR2
SCHEMBL7875372 0.69 CTBP2 (0.50) CTBP2TSHRMGLLCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350092-B2 Process of racemisation of optically active alpha aminoacetals CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2013-01-08 US disclosed
EP-2162426-B1 PROCESS OF RACEMISATION OF OPTICALLY ACTIVE ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEM F (FR) 2013-01-02 EP disclosed
US-20100152490-A1 Process Of Racemisation Of Optically Active Alpha Aminoacetals CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2010-06-17 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-20100152490-A1 Process Of Racemisation Of Optically Active Alpha Aminoacetals ALDH7A1, AADAT, ALAD CTBP2 4498/4885TSHR 4710/4885MGLL 2562/4885

“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.