SCHEMBL15436731

SCHEMBL15436731

CCC(=O)NC12CC3CC(C1)C(N)C(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
EPHX1 P07099 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43

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
SCHEMBL13195984 1.00 EPHX2 (0.50) EPHX2ALDH1A1KMT2ASMN1; SMN2HDAC3
SCHEMBL8403724 0.84 EPHX2 (0.66) EPHX2ALDH1A1KMT2ASMN1; SMN2HDAC3
SCHEMBL1406566 0.81 EPHX1 (0.50) EPHX2KMT2ASMN1; SMN2EPHX1
SCHEMBL13195554 0.81 EPHX1 (0.50) EPHX2KMT2ASMN1; SMN2EPHX1
SCHEMBL1406564 0.81 EPHX1 (0.50) EPHX2KMT2ASMN1; SMN2EPHX1
SCHEMBL19271804 0.80 EPHX2 (0.55) EPHX2ALDH1A1KMT2ASMN1; SMN2HDAC3
Hydrochloric Acid SCHEMBL1407060 0.80 EPHX1 (0.49) EPHX2KMT2ASMN1; SMN2EPHX1
Hydrochloric Acid SCHEMBL1406838 0.80 EPHX1 (0.49) EPHX2KMT2ASMN1; SMN2EPHX1
SCHEMBL16215956 0.80 EPHX2 (0.48) EPHX2KMT2ASMN1; SMN2EPHX1
SCHEMBL10138566 0.79 EPHX2 (0.44) EPHX2EPHX1

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
EP-2687515-A1 METHOD FOR PRODUCING PYRAZOLECARBOXYLIC ACID DERIVATIVE Shionogi & Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 2014-01-09 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-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE HSD11B1, HSD11B2, HSD17B1 EPHX2 790/4885ALDH1A1 115/4885KMT2A 3174/4885

“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.