SCHEMBL4970985

SCHEMBL4970985

CCOC(=O)/C=C/C(=O)N1CCOc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
NOTUM Q6P988 1/20 0.57
MAPT P10636 6/20 0.56
RXFP1 Q9HBX9 3/20 0.54
LMNA P02545 2/20 0.54
THRB P10828 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.47
PDK1 Q15118 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 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
SCHEMBL4970993 1.00 ALDH1A1 (0.64) ALDH1A1NOTUMMAPTRXFP1LMNA
SCHEMBL4969919 0.81 NOTUM (0.61) NOTUMMAPTRXFP1LMNATHRB
SCHEMBL4969128 0.81 NOTUM (0.61) NOTUMMAPTRXFP1LMNATHRB
SCHEMBL4969115 0.81 NOTUM (0.61) NOTUMMAPTRXFP1LMNATHRB
SCHEMBL14433154 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNA
SCHEMBL4970676 0.76 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHTT
SCHEMBL12723657 0.76 NOTUM (0.54) ALDH1A1NOTUMMAPTRXFP1LMNA
SCHEMBL4969256 0.76 MAPT (0.59) ALDH1A1NOTUMMAPTRXFP1LMNA
SCHEMBL4970673 0.76 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHTT
SCHEMBL13525163 0.76 NOTUM (0.69) ALDH1A1NOTUMMAPTRXFP1LMNA

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 142/4885NOTUM 593/4885MAPT 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.