SCHEMBL6724258

SCHEMBL6724258

C=CC=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.46
SLC6A2 P23975 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP1A2 P05177 3/20 0.44
RET P07949 3/20 0.44
LMNA P02545 3/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
CYP2D6 P10635 3/20 0.44
ADRB2 P07550 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
ADRB1 P08588 2/20 0.44
HTR1A P08908 2/20 0.44
CHRM5 P08912 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD2 P14416 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44

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
SCHEMBL878544 0.81 CYP19A1 (0.39) CES1CYP3A4CYP1A2LMNAADRA1D
SCHEMBL6249759 0.81 CYP19A1 (0.39) CES1CYP3A4CYP1A2LMNAADRA1D
SCHEMBL11778468 0.81 CYP19A1 (0.49) CES1NFKB1NPC1RAB9AMAPT
SCHEMBL8921555 0.78 CES1 (0.52) CES1SLC6A2CYP3A4CYP1A2RET
SCHEMBL19428057 0.78 MIF (0.40) CES1ADRA1DADRA1ACHRM1MEN1
SCHEMBL30436624 0.75 CES1 (0.65) CES1PARP1NPC1TSHRRAB9A
SCHEMBL5921441 0.74 CYP19A1 (0.51) LMNATP53NFKB1NPC1TSHR
SCHEMBL20153618 0.74 MEN1 (0.39) CHRM1RAB9AMEN1MAPTKMT2A
SCHEMBL4040169 0.73 CES1 (0.50) CES1SLC6A2CYP3A4CYP1A2RET
SCHEMBL8859036 0.73 CES1 (0.56) CES1SLC6A2CYP3A4CYP1A2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229899-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) JEPPESEN LONE (DK) 2004-11-18 US disclosed
US-6723731-B2 3-(4-(2-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLOXY)-ETHOXYL-PHENYL)-2 -ETHOXY-PROPIONIC ACID ETHYL ESTER AS ANTIDIABETIC AGENTS AND TO TREAT OBESITY NOVO NORDISK A/S (DK) 2004-04-20 US disclosed
US-6683111-B2 SUCH AS 2-ETHOXY-3-(4-(2-XANTHEN-9-YLIDENE-ETHOXY)-PHENYL)-PROPIONIC ACID; FOR TREATING CONDITIONS ASSOCIATED WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; TREATMENT OF DIABETES/OBESITY NOVO NORDISK A/S (DK) 2004-01-27 US disclosed
US-6602901-B2 Antidiabetic agents, obesity NOVO NORDISK A/S (DK) 2003-08-05 US disclosed
US-20020115654-A1 New compounds, their preparation and use JEPPESEN LONE (DK) 2002-08-22 US disclosed
US-6407127-B2 3-(4-(2-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLOXY)-ETHOXYL-PHENYL)-2 -ETHOXY-PROPIONIC ACID ETHYL ESTER AS ANTIDIABETIC AGENTS AND TO TREAT OBESITY NOVO NORDISK A/S (DK) 2002-06-18 US disclosed
US-6353018-B1 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2002-03-05 US disclosed
US-20010031764-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors(PPAR) JEPPESEN LONE (DK) 2001-10-18 US disclosed
US-20010031762-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) JEPPESEN LONE (DK) 2001-10-18 US disclosed
US-20010031786-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) JEPPESEN LONE (DK) 2001-10-18 US disclosed
EP-1123268-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-16 EP disclosed
EP-1123269-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-16 EP disclosed
US-6248781-B1 ANTIDIABETIC AGENTS; DIETETICS NOVO NORDISK A/S (DK) 2001-06-19 US disclosed
US-6214820-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS NOVO NORDISK A/S (DK) 2001-04-10 US disclosed
WO-2000023417-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023416-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
EP-0094560-B1 PROCESS FOR THE PRODUCTION OF 3-(10,11-DIHYDRO-5H-DIBENZO(A,D)-CYCLOHEPTEN-5-YLIDENE)-N,N-DIMETHYL-1-PROPANEAMINE-N-OXIDE A. Nattermann & Cie. GmbH (DE) 1986-09-24 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 (5 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-20010031762-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) PPARG, PPARA, PPARD CES1 195/4885SLC6A2 4513/4885CYP3A4 1781/4885
US-20020115654-A1 New compounds, their preparation and use PPARG, PPARD, PPARA CES1 58/4885SLC6A2 4695/4885CYP3A4 616/4885
US-20010031786-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) PPARG, PPARA, PPARD CES1 195/4885SLC6A2 4513/4885CYP3A4 1781/4885
US-20010031764-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors(PPAR) PPARG, PPARA, PPARD CES1 195/4885SLC6A2 4513/4885CYP3A4 1781/4885
US-20040229899-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) PPARG, PPARA, PPARD CES1 195/4885SLC6A2 4513/4885CYP3A4 1781/4885

“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.