SCHEMBL804188

SCHEMBL804188

C=CC(=O)c1cccc2c1CCO2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.39
MTNR1B P49286 12/20 0.39
MTNR1A P48039 10/20 0.38
PARP1 P09874 1/20 0.38
SLC9A5 Q14940 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL27559346 0.85 SLC9A1 (0.40) SLC9A1MTNR1BMTNR1APARP1SLC9A5
SCHEMBL496918 0.80 SLC9A1 (0.43) SLC9A1MTNR1BMTNR1APARP1SLC9A5
SCHEMBL7122066 0.78 PARP1 (0.57) SLC9A1MTNR1BMTNR1APARP1SLC9A5
SCHEMBL583934 0.78 MTNR1B (0.45) SLC9A1MTNR1BMTNR1APARP1SLC9A5
SCHEMBL30184316 0.78 PARP1 (0.57) SLC9A1MTNR1BMTNR1APARP1SLC9A5
SCHEMBL28775369 0.77 ALDH1A1 (0.46) MTNR1BMTNR1AKDM4E
SCHEMBL28816930 0.77 SLC9A1 (0.39) SLC9A1MTNR1BMTNR1APARP1SLC9A5
SCHEMBL30884588 0.77 ALDH1A1 (0.46) MTNR1BMTNR1AKDM4E
SCHEMBL7781199 0.77 MTNR1A (0.44) SLC9A1MTNR1BMTNR1ASLC9A5SLC9A2
SCHEMBL10005787 0.75 MTNR1B (0.39) SLC9A1MTNR1BMTNR1APARP1SLC9A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011528012-A 2011-11-10 JP claimed
EP-2328882-A1 SYNTHESIS OF 6,7-DIHYDRO-1H-INDENO[5,4-B]FURAN-8(2H)-ONE AS INTERMEDIATE IN THE PREPARATION OF RAMELTEON LEK Pharmaceuticals d.d. (SI) 2011-06-08 EP claimed
WO-2010007022-A1 SYNTHESIS OF 6,7-DIHYDRO-1H-INDENO[5,4-B]FURAN-8(2H)-ONE AS INTERMEDIATE IN THE PREPARATION OF RAMELTEON LEK PHARMACEUTICALS D.D. (SI) 2010-01-21 WO claimed
US-20120071673-A1 SYNTHESIS OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO-[5,4-B]FURAN-8-YL)ETHYL]PROPIONAMIDE LEK PHARMACEUTICALS D.D. (SI) 2012-03-22 US disclosed
US-20120071673-A1 SYNTHESIS OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO-[5,4-B]FURAN-8-YL)ETHYL]PROPIONAMIDE LEK PHARMACEUTICALS D.D. (SI) 2012-03-22 US disclosed
US-20110184058-A1 SYNTHESIS OF 6,7-DIHYDRO-1H-INDENO[5, 4-B] FURAN-8(2H)-ONE AS INTERMEDIATE IN THE PREPARATION OF REMELTEON LEK PHARMACEUTICALS D.D. (SI) 2011-07-28 US disclosed
US-20110184058-A1 SYNTHESIS OF 6,7-DIHYDRO-1H-INDENO[5, 4-B] FURAN-8(2H)-ONE AS INTERMEDIATE IN THE PREPARATION OF REMELTEON LEK PHARMACEUTICALS D.D. (SI) 2011-07-28 US disclosed
US-20110184058-A1 SYNTHESIS OF 6,7-DIHYDRO-1H-INDENO[5, 4-B] FURAN-8(2H)-ONE AS INTERMEDIATE IN THE PREPARATION OF REMELTEON LEK PHARMACEUTICALS D.D. (SI) 2011-07-28 US disclosed
EP-2328882-A1 SYNTHESIS OF 6,7-DIHYDRO-1H-INDENO[5,4-B]FURAN-8(2H)-ONE AS INTERMEDIATE IN THE PREPARATION OF RAMELTEON LEK Pharmaceuticals d.d. (SI) 2011-06-08 EP disclosed
EP-2243775-A1 Synthesis of 1-(2,3-Dihydrobenzofuran-4-YL)ethanone as intermediate in the preparation of ramelteon LEK Pharmaceuticals d.d. (SI) 2010-10-27 EP disclosed
WO-2010115897-A2 SYNTHESIS OF 1-(2,3-DIHYDROBENZOFURAN-4-YL)ETHANONE AS INTERMEDIATE IN THE PREPARATION OF RAMELTEON LEK PHARMACEUTICALS D.D. (SI) 2010-10-14 WO disclosed
WO-2010092107-A1 SYNTHESIS OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO-[5,4-B]FURAN-8-YL)ETHYL]PROPIONAMIDE LEK PHARMACEUTICALS D.D. (SI) 2010-08-19 WO disclosed
WO-2010007022-A1 SYNTHESIS OF 6,7-DIHYDRO-1H-INDENO[5,4-B]FURAN-8(2H)-ONE AS INTERMEDIATE IN THE PREPARATION OF RAMELTEON LEK PHARMACEUTICALS D.D. (SI) 2010-01-21 WO disclosed
WO-2010007022-A1 SYNTHESIS OF 6,7-DIHYDRO-1H-INDENO[5,4-B]FURAN-8(2H)-ONE AS INTERMEDIATE IN THE PREPARATION OF RAMELTEON LEK PHARMACEUTICALS D.D. (SI) 2010-01-21 WO 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 (2 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-20110184058-A1 SYNTHESIS OF 6,7-DIHYDRO-1H-INDENO[5, 4-B] FURAN-8(2H)-ONE AS INTERMEDIATE IN THE PREPARATION OF REMELTEON CYP2B6, CYP2D6, CYP2J2 SLC9A1 4400/4885MTNR1B 90/4885MTNR1A 153/4885
US-20120071673-A1 SYNTHESIS OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO-[5,4-B]FURAN-8-YL)ETHYL]PROPIONAMIDE CYP2B6, CYP2D6, CYP2A6 SLC9A1 4090/4885MTNR1B 790/4885MTNR1A 1049/4885

“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.