SCHEMBL19798405

SCHEMBL19798405

c1ccc(COC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.50
PDPK1 O15530 1/20 0.46
MTOR P42345 1/20 0.46
TACR1 P25103 2/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
HSD11B1 P28845 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TSHR P16473 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL19798402 0.83 EPHX2 (0.50) EPHX2CHRM2CHRM4CHRM5HSD11B1
SCHEMBL14344812 0.78 PSEN1 (0.42) EPHX2PDPK1MTORTACR1BCHE
SCHEMBL26351794 0.78 ESR1 (0.43) EPHX2TACR1HSD11B1
SCHEMBL12260659 0.78 LPL (0.39) EPHX2
SCHEMBL14344972 0.77 EPHX2 (0.40) EPHX2PDPK1MTORTACR1BCHE
SCHEMBL14344817 0.77 EPHX2 (0.37) EPHX2PDPK1MTORTACR1BCHE
SCHEMBL18002268 0.76 MAOA (0.42) EPHX2HSD11B1
SCHEMBL11040038 0.74 BCHE (0.55) PDPK1MTORTACR1BCHEACHE
SCHEMBL11048034 0.74 CTSL (0.46) PDPK1MTORTACR1BCHEACHE
SCHEMBL18986887 0.74 BCHE (0.48) PDPK1MTORTACR1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 EPHX2 1124/4885PDPK1 1481/4885MTOR 662/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 EPHX2 1124/4885PDPK1 1481/4885MTOR 662/4885

“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.