SCHEMBL3919802

SCHEMBL3919802

O=P1(O)Oc2c(-c3ccc(C(Cl)(Cl)Cl)cc3)cc3c(c2-c2c4c(cc(-c5ccc(C(Cl)(Cl)Cl)cc5)c2O1)CCCC4)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 17/20 0.43
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.37

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
SCHEMBL3921033 0.89 MEN1 (0.37) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL3916601 0.88 GPR84 (0.43) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL17436482 0.86 GPR84 (0.54) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL13868304 0.84 GPR84 (0.54) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL3929063 0.80 GPR84 (0.39) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL25484967 0.79 GPR84 (0.44) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL3927270 0.79 MEN1 (0.37) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL22229749 0.79 CYP3A4 (0.40) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL22229688 0.77 GPR84 (0.38) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL29733041 0.76 MEN1 (0.39) GPR84MEN1KMT2AKDM4ERECQL

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 2758/4885MEN1 169/4885KMT2A 2039/4885

“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.