SCHEMBL11907499

SCHEMBL11907499

O=C(/C=C/[C@H]1C(OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)CCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ SENP1 Q9P0U3 1/20 0.43
▸ BCHE P06276 2/20 0.39
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ GPR52 Q9Y2T5 2/20 0.34
▸ CHRNA7 P36544 1/20 0.32
▸ MGLL Q99685 1/20 0.32

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
SCHEMBL1364975 1.00 RAB9A (0.63) RAB9AKDM4ENPC1SMN1; SMN2SENP1
SCHEMBL11907503 1.00 RAB9A (0.63) RAB9AKDM4ENPC1SMN1; SMN2SENP1
SCHEMBL11907502 1.00 RAB9A (0.63) RAB9AKDM4ENPC1SMN1; SMN2SENP1
SCHEMBL1364978 1.00 RAB9A (0.63) RAB9AKDM4ENPC1SMN1; SMN2SENP1
SCHEMBL13614205 0.94 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2SENP1
SCHEMBL29004577 0.94 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2SENP1
SCHEMBL29004578 0.94 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2SENP1
SCHEMBL4617880 0.94 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2SENP1
SCHEMBL4337454 0.94 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2SENP1
SCHEMBL10071672 0.94 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2SENP1

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-20120209011-A1 NOVEL PROCESS FOR THE PREPARATION OF PROSTAGLANDINS AND INTERMEDIATES THEREOF ASWATHANARAYANAPPA CHANDRASHEKAR (IN) 2012-08-16 — — 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-20120209011-A1 NOVEL PROCESS FOR THE PREPARATION OF PROSTAGLANDINS AND INTERMEDIATES THEREOF PTGER3, CBR3, PTGES3 RAB9A 3612/4885KDM4E 4498/4885NPC1 2746/4885

“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.

Send feedback