SCHEMBL5118396

SCHEMBL5118396

COC(=O)CCN1C2CC(=O)CC1CC(C(=O)OC)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
KAT2B Q92831 3/20 0.35
TSHR P16473 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL3689858 0.85 BRD4 (0.41) BRD4SMN1; SMN2CHRNB2CHRNA4KMT2A
SCHEMBL5727783 0.83 BRD4 (0.50) BRD4CHRNB2CHRNA4KMT2AMEN1
Hydrochloric Acid SCHEMBL3693041 0.83 BRD4 (0.39) BRD4SMN1; SMN2CHRNB2CHRNA4KMT2A
SCHEMBL25333482 0.74 KMT2A (0.48) KMT2A
SCHEMBL12994229 0.72 BRD4 (0.36) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14441118 0.72 BRD4 (0.35) BRD4
SCHEMBL24483517 0.71 CHRNB2 (0.58) BRD4CHRNB2CHRNA4KMT2ACHRNB4
SCHEMBL24483210 0.71 CHRNB2 (0.58) BRD4CHRNB2CHRNA4KMT2ACHRNB4
SCHEMBL5118393 0.70 BRD4 (0.40) BRD4SMN1; SMN2CHRNB2CHRNA4KMT2A
SCHEMBL24035543 0.69 CHRNB2 (0.57) BRD4CHRNB2CHRNA4KMT2ACHRNB4

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-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof USV LIMITED (IN) 2008-11-06 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-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof CYP4A11, CYP3A43, VKORC1 BRD4 3815/4885SMN1; SMN2 4047/4885CHRNB2 1234/4885

“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.