SCHEMBL17469284

SCHEMBL17469284

COc1cc2c(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]c2cc1OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 6/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRA6 Q16445 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 2/20 0.38
GMNN O75496 1/20 0.38

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
SCHEMBL19322238 0.91 PDE3B (0.45) PDE3BPDE3AKDM4EMAPTTDP1
SCHEMBL19322244 0.83 PDE3B (0.39) PDE3BPDE3AKDM4EMAPTTDP1
SCHEMBL19322243 0.83 NCOA1 (0.41) PDE3BPDE3AKDM4EMAPTTDP1
SCHEMBL19322240 0.81 MTNR1A (0.42) PDE3BPDE3AKDM4EMAPTTDP1
SCHEMBL19322239 0.81 L3MBTL1 (0.51) PDE3BPDE3AKDM4EMAPTTDP1
SCHEMBL19322241 0.81 PDE3B (0.39) PDE3BPDE3AKDM4EMAPTTDP1
SCHEMBL17469286 0.78 BCHE (0.36) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL19317490 0.77 GAA (0.37) KDM4EMAPTGAANPSR1ALDH1A1
SCHEMBL19322245 0.77 KDM4E (0.40) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL19317487 0.74 MEN1 (0.36) KDM4EMAPTMAPK1CYP1A2MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11147795-B2 Neuroprotective compounds and methods of use ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-10-19 US disclosed
US-20190350902-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-11-21 US disclosed
US-10358438-B2 [3+2] annulation to produce 5-membered heterocyclic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-07-23 US disclosed
US-20170253580-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-07 US disclosed
WO-2016014426-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS (US) 2016-01-28 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 (4 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-11147795-B2 Neuroprotective compounds and methods of use RTN3, CHRNB3, ARRB1 PDE3B 3591/4885PDE3A 3508/4885KDM4E 3636/4885
US-20170253580-A1 ORGANIC REACTIONS MYC, CYP2E1, CYP3A4 PDE3B 4035/4885PDE3A 4473/4885KDM4E 1249/4885
US-20190350902-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE RTN3, CHRNB3, ARRB1 PDE3B 3591/4885PDE3A 3508/4885KDM4E 3636/4885
US-10358438-B2 [3+2] annulation to produce 5-membered heterocyclic compounds ACR, MYC, TOP1 PDE3B 3517/4885PDE3A 3993/4885KDM4E 691/4885

“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.