SCHEMBL703667

SCHEMBL703667

C=CCc1c[nH]c2cccc(C(=O)OC)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.52
CREBBP Q92793 1/20 0.47
KDM4E B2RXH2 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
GPR84 Q9NQS5 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
DNMT1 P26358 1/20 0.39

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
SCHEMBL16686899 0.85 NR4A2 (0.58) NR4A2CREBBPKDM4EHTTALDH1A1
SCHEMBL763777 0.82 NR4A2 (0.56) NR4A2CREBBPKDM4EHTTALDH1A1
Hydrochloric Acid SCHEMBL6617774 0.81 NR4A2 (0.55) NR4A2CREBBPKDM4EHTTALDH1A1
SCHEMBL16687075 0.81 NR4A2 (0.55) NR4A2CREBBPKDM4EHTTALDH1A1
SCHEMBL5646963 0.80 HTR2A (0.59) NR4A2CREBBPKDM4EHTTALDH1A1
SCHEMBL8726228 0.80 HTR2A (0.60) NR4A2CREBBPKDM4EHTTALDH1A1
SCHEMBL17065792 0.80 NR4A2 (0.44) NR4A2CREBBPKDM4EHTTALDH1A1
SCHEMBL17065786 0.80 NR4A2 (0.47) NR4A2CREBBPMAPTMTNR1AMTNR1B
SCHEMBL28445014 0.79 NR4A2 (0.52) NR4A2CREBBPKDM4EHTTALDH1A1
Iodide SCHEMBL5646957 0.79 HTR2A (0.58) NR4A2CREBBPKDM4EHTTALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 US disclosed
US-8501729-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-08-06 US disclosed
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 US disclosed
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed
EP-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-03 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 (3 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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B NR4A2 3653/4885CREBBP 3747/4885KDM4E 3629/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B NR4A2 3653/4885CREBBP 3747/4885KDM4E 3629/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B NR4A2 3653/4885CREBBP 3747/4885KDM4E 3629/4885

“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.