SCHEMBL16978124

SCHEMBL16978124

CCN1CCC(CC(=O)C(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 3/20 0.41
EPHX2 P34913 2/20 0.39
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
LIPA P38571 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
HTR4 Q13639 1/20 0.35

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
SCHEMBL19169454 0.81 NCF1 (0.43) KCNH2CACNA1ILIPAHTR4
SCHEMBL8406312 0.80 LIPA (0.52) EPHX1SMN1; SMN2LIPA
SCHEMBL12981142 0.79 LIPA (0.39) KCNH2CACNA1ILIPA
SCHEMBL13617466 0.79 SMN1; SMN2 (0.52) EPHX1SMN1; SMN2HSD11B1EPHX2HRH3
SCHEMBL1762876 0.79 SMN1; SMN2 (0.52) EPHX1SMN1; SMN2HSD11B1EPHX2
SCHEMBL13622462 0.77 EPHX1 (0.55) EPHX1SMN1; SMN2HSD11B1EPHX2CACNA1I
Hydrochloric Acid SCHEMBL3579455 0.77 EPHX1 (0.50) EPHX1SMN1; SMN2HSD11B1EPHX2
SCHEMBL4822849 0.77 SMN1; SMN2 (0.60) EPHX1SMN1; SMN2HSD11B1EPHX2HRH3
SCHEMBL14255273 0.76 ITGB3 (0.37) LIPA
SCHEMBL31486529 0.76 LIPA (0.46) EPHX2LIPA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218173-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-06 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-20150218173-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS CCND2, ARG2, ARG1 EPHX1 1882/4885SMN1; SMN2 1733/4885HSD11B1 2467/4885

“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.