SCHEMBL19808553

SCHEMBL19808553

CC(C)CC12CC3CC(C1)C(NC(=O)c1ccccc1)C(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.50
EPHX2 P34913 2/20 0.46
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 9/20 0.44
IDO1 P14902 1/20 0.44
FAAH O00519 1/20 0.44
HDAC6 Q9UBN7 1/20 0.42
IDH1 O75874 1/20 0.42
HSD11B2 P80365 3/20 0.42

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
SCHEMBL4556735 0.87 P2RX7 (0.55) P2RX7EPHX2KMT2AHSD11B1IDO1
SCHEMBL1675970 0.78 HSD11B1 (0.57) EPHX2KMT2AHSD11B1FAAH
SCHEMBL16530082 0.78 HSD11B1 (0.57) EPHX2KMT2AHSD11B1FAAH
SCHEMBL3773962 0.75 NPC1 (0.54) P2RX7EPHX2KMT2AHSD11B1FAAH
SCHEMBL19808369 0.74 EPHX2 (0.41) P2RX7EPHX2KMT2AHSD11B1HSD11B2
SCHEMBL1675682 0.74 KMT2A (0.74) EPHX2KMT2AHSD11B1FAAH
SCHEMBL3773939 0.73 HSD11B1 (0.45) P2RX7KMT2AHSD11B1FAAHIDH1
SCHEMBL13018717 0.72 HSD11B1 (0.44) P2RX7HSD11B1HSD11B2
SCHEMBL1761711 0.71 KMT2A (0.54) EPHX2KMT2AFAAHHDAC6
SCHEMBL19808221 0.69 EPHX2 (0.38) P2RX7EPHX2KMT2AHSD11B1

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-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

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 P2RX7 2319/4885EPHX2 1124/4885KMT2A 667/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 P2RX7 2319/4885EPHX2 1124/4885KMT2A 667/4885

“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.