SCHEMBL3453117

SCHEMBL3453117

CCc1cc(OC2CCCCO2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PTPN1 P18031 4/20 0.35
TNK2 Q07912 3/20 0.35
POLB P06746 1/20 0.33
PDE4B Q07343 1/20 0.32

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
SCHEMBL6253097 0.89 DHFR (0.42) DHFRHSD11B1KMT2AMEN1NPC1
SCHEMBL2317607 0.83 KDM4C (0.48) DHFRHSD11B1KMT2AMEN1NPC1
SCHEMBL3451372 0.82 HSD11B1 (0.43) DHFRHSD11B1KMT2AMEN1NPC1
SCHEMBL15654560 0.82 MEN1 (0.47) DHFRHSD11B1KMT2AMEN1NPC1
SCHEMBL1755976 0.80 HSD11B1 (0.41) DHFRHSD11B1KMT2AMEN1NPC1
SCHEMBL20004827 0.80 HSD11B1 (0.41) DHFRHSD11B1KMT2AMEN1NPC1
SCHEMBL5535487 0.79 HSD11B1 (0.40) DHFRHSD11B1KMT2AMEN1NPC1
SCHEMBL2017636 0.79 HSD11B1 (0.40) DHFRHSD11B1KMT2AMEN1NPC1
SCHEMBL566012 0.78 HSD11B1 (0.39) DHFRHSD11B1KMT2AMEN1NPC1
SCHEMBL5702480 0.77 DDB1 (0.41) DHFRHSD11B1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20060258722-A1 Condensed ring compound TAKEDA PHARMACEUTICAL COMPANY., LTD. (JP) 2006-11-16 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 (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-20060258722-A1 Condensed ring compound GPR119, GLP1R, GCGR DHFR 4416/4885HSD11B1 555/4885KMT2A 3645/4885

“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.