SCHEMBL10923735

SCHEMBL10923735

CCCC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.77
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
FAAH O00519 1/20 0.60
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GBA1 P04062 2/20 0.55
ALDH1A1 P00352 1/20 0.55
EPHX1 P07099 2/20 0.55
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL21019534 0.89 EPHX2 (0.97) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10532396 0.89 EPHX2 (0.90) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27592378 0.87 EPHX2 (1.00) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12931877 0.87 EPHX2 (1.00) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9743900 0.85 HDAC3 (0.64) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8403724 0.84 EPHX2 (0.66) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12237547 0.81 EPHX2 (0.73) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL23419224 0.81 HDAC3 (0.64) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16365979 0.81 HDAC3 (0.64) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9744308 0.81 HDAC3 (0.64) EPHX2HDAC3HDAC4HDAC1HDAC7

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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
EP-0190684-A2 Bicycloalkyl, tricycloalkyl, azabicycloalkyl and azatricycloalkyl amides G.D. Searle & Co. (US) 1986-08-13 EP 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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 EPHX2 1124/4885HDAC3 221/4885HDAC4 451/4885
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 EPHX2 1273/4885HDAC3 119/4885HDAC4 217/4885

“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.