SCHEMBL4813112

SCHEMBL4813112

C[C@H]1CC[C@H](NC[O])CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 5/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
ADRA2A P08913 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
VEGFA P15692 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
THRB P10828 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LTA4H P09960 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL4813108 1.00 EPHX1 (0.40) EPHX1ALDH1A1POLBRECQLADRA2A
SCHEMBL4817401 1.00 EPHX1 (0.40) EPHX1ALDH1A1POLBRECQLADRA2A
SCHEMBL4323972 0.76 KCNH2 (0.44) EPHX1ALDH1A1POLBRECQLADRA2A
SCHEMBL10296875 0.76 KCNH2 (0.44) EPHX1ALDH1A1POLBRECQLADRA2A
SCHEMBL940070 0.75 EPHX1 (0.38) EPHX1ALDH1A1POLBRECQLADRA2A
SCHEMBL940071 0.75 EPHX1 (0.38) EPHX1ALDH1A1POLBRECQLADRA2A
SCHEMBL4813989 0.74 EPHX2 (0.48) TSHRKDM4ELTA4HTDP1
SCHEMBL4814571 0.74 EPHX2 (0.48) TSHRKDM4ELTA4HTDP1
SCHEMBL4813992 0.74 EPHX2 (0.48) TSHRKDM4ELTA4HTDP1
SCHEMBL4806010 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 EPHX1 3158/4885ALDH1A1 3848/4885POLB 1867/4885

“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.