SCHEMBL5126936

SCHEMBL5126936

CC1(C)C=CCC1(C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
FFAR3 O14843 1/20 0.35
MAPK1 P28482 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
SCHEMBL23236363 0.76 CYP3A4 (0.35) CYP3A4FFAR3MAPK1
SCHEMBL23236342 0.76 CYP3A4 (0.35) CYP3A4FFAR3MAPK1
Hydrochloric Acid SCHEMBL8987265 0.73 CYP3A4 (0.36) CYP3A4
SCHEMBL3783621 0.73 CYP3A4 (0.36) CYP3A4
SCHEMBL4063880 0.71
Hydrochloric Acid SCHEMBL8662463 0.69 CYP3A4 (0.31) CYP3A4
SCHEMBL23236140 0.68
SCHEMBL2874658 0.68
SCHEMBL23244694 0.67 LMNA (0.33)
SCHEMBL23236351 0.67 CYP3A4 (0.31) CYP3A4

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-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
WO-2007072506-A2 POLYMORPHIC FORMS OF DOLASETRON MESYLATE AND PROCESSES THEREOF USV LIMITED (IN) 2007-06-28 WO disclosed
WO-2007072507-A2 POLYMORPHIC FORMS OF DOLASETRON BASE AND PROCESSES OF PREPARING DOLASETRON BASE, ITS POLYMORPHIC FORMS AND SALT THEREOF USV LIMITED (IN) 2007-06-28 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-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof CYP4A11, CYP3A43, VKORC1 CYP3A4 24/4885FFAR3 3911/4885MAPK1 2560/4885

“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.