SCHEMBL4968945

SCHEMBL4968945

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CREBBP Q92793 1/20 0.42
DGAT1 O75907 1/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TP53 P04637 4/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL4968940 1.00 ALDH1A1 (0.42) ALDH1A1CREBBPDGAT1MAPTSMN1; SMN2
SCHEMBL4969791 0.92 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL4969782 0.92 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL4969005 0.90 POLB (0.42) ALDH1A1DGAT1MAPTSMN1; SMN2MEN1
SCHEMBL4969002 0.90 POLB (0.42) ALDH1A1DGAT1MAPTSMN1; SMN2MEN1
SCHEMBL4970363 0.87 CREBBP (0.46) ALDH1A1CREBBPDGAT1MAPTSMN1; SMN2
SCHEMBL4970370 0.87 CREBBP (0.46) ALDH1A1CREBBPDGAT1MAPTSMN1; SMN2
SCHEMBL4971285 0.83 POLB (0.47) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL4971276 0.83 POLB (0.47) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL4970020 0.81 ALDH1A1 (0.46) ALDH1A1CREBBPMAPTSMN1; SMN2MEN1

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 142/4885CREBBP 2067/4885DGAT1 57/4885

“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.