SCHEMBL3929063

SCHEMBL3929063

O=[N+]([O-])c1ccc(-c2cc3c(c4c2OP(=O)(O)Oc2c(-c5ccc([N+](=O)[O-])cc5)cc5c(c2-4)CCCC5)CCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 11/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 2/20 0.38
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
ACHE P22303 1/20 0.34
CA12 O43570 1/20 0.34
LMNA P02545 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL3929935 0.90 MEN1 (0.37) GPR84MAPTRECQLALDH1A1MEN1
SCHEMBL13868304 0.83 GPR84 (0.54) GPR84RECQLMEN1KMT2AKDM4E
SCHEMBL4123679 0.80 KMT2A (0.54) MAPTRECQLALDH1A1MEN1KMT2A
SCHEMBL3919802 0.80 GPR84 (0.43) GPR84RECQLMEN1KMT2AKDM4E
SCHEMBL22229749 0.78 CYP3A4 (0.40) GPR84MAPTRECQLMEN1KMT2A
SCHEMBL22229672 0.74 GPR84 (0.57) GPR84RECQLMEN1KMT2AKDM4E
SCHEMBL22229688 0.74 GPR84 (0.38) GPR84RECQLMEN1KMT2AKDM4E
SCHEMBL887282 0.73 GPR84 (0.74) GPR84RECQLMEN1KMT2AKDM4E
SCHEMBL25484967 0.73 GPR84 (0.44) GPR84RECQLMEN1KMT2AKDM4E
SCHEMBL22229709 0.73 MEN1 (0.49) GPR84RECQLMEN1KMT2AKDM4E

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-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2006-12-07 US disclosed
EP-1623971-A1 ASYMMETRIC-SYNTHESIS CATALYST BASED ON CHIRAL BROENSTED ACID AND METHOD OF ASYMMETRIC SYNTHESIS WITH THE CATALYST TOAGOSEI CO., LTD. (JP) 2006-02-08 EP 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-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst LSS, COASY, FASN GPR84 2758/4885MAPT 3346/4885RECQL 3866/4885

“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.