SCHEMBL4969919

SCHEMBL4969919

O=C(O)/C=C\C(=O)N1CCOc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.61
POLB P06746 1/20 0.53
PDK1 Q15118 1/20 0.52
THRB P10828 1/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
LMNA P02545 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
GAA P10253 1/20 0.45
SLC22A12 Q96S37 1/20 0.44
KMT2A Q03164 1/20 0.44
NR3C2 P08235 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL4969115 1.00 NOTUM (0.61) NOTUMPOLBPDK1THRBMAPT
SCHEMBL4969128 1.00 NOTUM (0.61) NOTUMPOLBPDK1THRBMAPT
SCHEMBL6648039 0.84 NOTUM (0.73) NOTUMPOLBPDK1THRBMAPT
SCHEMBL21392974 0.82 NOTUM (0.65) NOTUMPOLBPDK1THRBMAPT
SCHEMBL20205020 0.82 NOTUM (0.65) NOTUMPOLBPDK1THRBMAPT
SCHEMBL4970985 0.81 ALDH1A1 (0.64) NOTUMPOLBPDK1THRBMAPT
SCHEMBL4970993 0.81 ALDH1A1 (0.64) NOTUMPOLBPDK1THRBMAPT
SCHEMBL16193763 0.77 POLB (0.78) NOTUMPOLBPDK1THRBMAPT
SCHEMBL12723657 0.77 NOTUM (0.54) NOTUMPOLBPDK1THRBMAPT
SCHEMBL1548726 0.76 NOTUM (0.71) NOTUMPOLBPDK1THRBMAPT

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 6 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 claimed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US claimed
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
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US 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 NOTUM 593/4885POLB 4733/4885PDK1 2105/4885

“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.