SCHEMBL5347391

SCHEMBL5347391

C=C/C=C/CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TRPA1 O75762 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4D Q08499 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 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
SCHEMBL5347392 1.00 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6647774 0.82 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6708068 0.82 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27579524 0.81 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13480702 0.81 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13931973 0.81 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12544654 0.80 NR1I2 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27692752 0.80 NAAA (0.52) HCAR2NPSR1TSHR
SCHEMBL27558896 0.79 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL251222 0.79 NPSR1 (0.41) ALDH1A1HCAR2NPSR1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950983-B2 Tricyclic compounds and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-20170233324-A1 TRICYCLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-08-17 US disclosed
US-20170233324-A1 TRICYCLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-08-17 US disclosed
WO-2016013032-A1 TRICYCLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-28 WO disclosed
US-7230022-B2 Substituted fused bicyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 US disclosed
US-20050197373-A1 Substituted fused bicyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
US-4806605-A Monomers and initiators for group transfer polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-21 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 (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-20050197373-A1 Substituted fused bicyclic amines as modulators of chemokine receptor activity CCR3, CCR1, CCR2 GAA 4575/4885MGAM 4852/4885SI 4298/4885
US-20170233324-A1 TRICYCLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF C1S, CYP11B1, NISCH GAA 3822/4885MGAM 4181/4885SI 1842/4885

“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.