SCHEMBL4529398

SCHEMBL4529398

CC(=O)OCC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCAT2 O15382 1/20 0.49
SCN1A P35498 3/20 0.48
SCN2A Q99250 3/20 0.48
SCN3A Q9NY46 3/20 0.48
ALDH1A1 P00352 3/20 0.45
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HNF4A P41235 1/20 0.42

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
SCHEMBL9024484 0.89 LMNA (0.47) LMNAMEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL9024359 0.85 LMNA (0.44) LMNAMEN1KMT2ASCN1ASCN2A
SCHEMBL27300818 0.83 PTGDR2 (0.49) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9405743 0.83 LMNA (0.42) LMNASCN1ASCN2ASCN3AALDH1A1
SCHEMBL9405741 0.83 LMNA (0.42) LMNAMEN1KMT2ASMN1; SMN2SCN1A
SCHEMBL11575282 0.80 LMNA (0.50) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL26129433 0.80 THRB (0.45) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL1301580 0.77 SMN1; SMN2 (0.54) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3420505 0.77 BCAT2 (0.57) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL30505632 0.77 BCAT2 (0.57) LMNAMEN1KMT2ASMN1; SMN2BCAT2

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-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 WO disclosed
EP-0305952-B1 SUBSTITUTED 2-PHENYL-4-QUINOLINE-CARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1993-06-02 EP disclosed
US-4847381-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0305952-A1 Substituted 2-phenyl-4-quinoline-carboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B LMNA 3744/4885MEN1 3047/4885KMT2A 2279/4885

“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.