SCHEMBL4969005

SCHEMBL4969005

CCOC(=O)C=CC(=O)N1CC(C(C)C)Oc2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 3/20 0.37
TSHR P16473 1/20 0.37
DGAT1 O75907 1/20 0.36
USP2 O75604 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 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
SCHEMBL4969002 1.00 POLB (0.42) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4971276 0.92 POLB (0.47) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4971285 0.92 POLB (0.47) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4968945 0.90 ALDH1A1 (0.42) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4968940 0.90 ALDH1A1 (0.42) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4970377 0.86 HRH2 (0.40) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4970379 0.86 HRH2 (0.40) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4969791 0.83 ALDH1A1 (0.45) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4969782 0.83 ALDH1A1 (0.45) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4972512 0.82 ALDH1A1 (0.44) POLBALDH1A1MAPTKMT2AMEN1

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 POLB 4733/4885ALDH1A1 142/4885MAPT 387/4885

“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.