SCHEMBL4972205

SCHEMBL4972205

CC(C)(C)OC(=O)CN1C(=O)COc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 2/20 0.56
CBX7 O95931 2/20 0.56
CDYL2 Q8N8U2 2/20 0.56
CDYL Q9Y232 2/20 0.56
CDY1; CDY1B Q9Y6F8 2/20 0.56
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
ALOX12 P18054 1/20 0.55
GAA P10253 2/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
USP2 O75604 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL4970345 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4968483 0.85 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL2627034 0.83 USP2 (0.70) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL14046919 0.83 TSHR (0.63) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL5340163 0.82 HTT (0.56) ALDH1A1KMT2AMEN1CYP2C19TSHR
SCHEMBL4432608 0.81 KMT2A (0.67) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL5966758 0.80 CCKBR (0.48) MAPT
SCHEMBL7290163 0.80 MAPT (0.43) MAPT
SCHEMBL7290156 0.80 MAPT (0.43) MAPT
SCHEMBL30808661 0.79 KMT2A (0.68) ALDH1A1KMT2AMEN1CYP2C9CYP2C19

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 ALDH1A1 142/4885KMT2A 1121/4885MEN1 4288/4885

“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.