SCHEMBL4114474

SCHEMBL4114474

CON(C)C(=O)c1cccc2c1OCCO2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.53
WNT3A P56704 3/20 0.53
KDM4E B2RXH2 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MTNR1A P48039 10/20 0.43
HTR4 Q13639 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.39
PTGER3 P43115 1/20 0.39

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
SCHEMBL15761166 0.88 CTNNB1 (0.41) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL12388673 0.81 PARP1 (0.59) CTNNB1WNT3A
SCHEMBL2895789 0.78 CTNNB1 (0.58) CTNNB1WNT3AKDM4EHDAC3HDAC4
SCHEMBL6679849 0.77 KDM4E (0.65) CTNNB1WNT3AKDM4EMTNR1A
SCHEMBL6679843 0.77 KDM4E (0.65) CTNNB1WNT3AKDM4EMTNR1A
SCHEMBL637323 0.76 CTNNB1 (0.55) CTNNB1WNT3AKDM4EHDAC3HDAC4
SCHEMBL5214590 0.76 CTNNB1 (0.55) CTNNB1WNT3AKDM4EHDAC3HDAC4
SCHEMBL29123926 0.75 TP53 (0.61) CTNNB1WNT3AKDM4EHDAC3HDAC4
SCHEMBL15761088 0.74 ADORA2A (0.35)
SCHEMBL8488569 0.74 MTNR1A (0.55) CTNNB1WNT3AKDM4EHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 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 (2 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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R CTNNB1 4624/4885WNT3A 4109/4885KDM4E 2755/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD CTNNB1 4770/4885WNT3A 2463/4885KDM4E 2811/4885

“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.