SCHEMBL4970020

SCHEMBL4970020

CCOC(=O)C=CC(=O)N1CC(c2ccccc2)Oc2cc(C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAOB P27338 6/20 0.41
CREBBP Q92793 1/20 0.41
MAPT P10636 5/20 0.39
TP53 P04637 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
MDM4 O15151 1/20 0.35
LMNA P02545 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL4970015 1.00 ALDH1A1 (0.46) ALDH1A1MAOBCREBBPMAPTTP53
SCHEMBL4968398 0.93 ALDH1A1 (0.47) ALDH1A1MAOBMAPTTP53MEN1
SCHEMBL4968401 0.93 ALDH1A1 (0.47) ALDH1A1MAOBMAPTTP53MEN1
SCHEMBL4972506 0.90 ALDH1A1 (0.44) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL4972512 0.90 ALDH1A1 (0.44) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL4968873 0.88 MAOB (0.45) ALDH1A1MAOBCREBBPMAPTTP53
SCHEMBL4968874 0.88 MAOB (0.45) ALDH1A1MAOBCREBBPMAPTTP53
SCHEMBL4971217 0.85 POLB (0.46) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL4971226 0.85 POLB (0.46) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL4968945 0.81 ALDH1A1 (0.42) ALDH1A1CREBBPMAPTTP53MEN1

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 142/4885MAOB 2759/4885CREBBP 2067/4885

“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.