SCHEMBL22768024

SCHEMBL22768024

CC(C)c1cc(F)c(C(C)(C)C)cc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.34
PDE2A O00408 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31

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
SCHEMBL13699139 0.91 EIF4A3 (0.34) EIF4A3PDE2AKDM4EALDH1A1CYP1A2
SCHEMBL24868582 0.87 EIF4A3 (0.34) EIF4A3PDE2AKDM4EALDH1A1CYP1A2
SCHEMBL12067546 0.84 DPP4 (0.34) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL13676942 0.83 PDE2A (0.39) EIF4A3PDE2A
SCHEMBL16736781 0.82 ALOX15 (0.46) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL19170652 0.82 PTGS2 (0.35) PDE2ASMN1; SMN2
SCHEMBL16736902 0.82 ALOX15 (0.52) EIF4A3KDM4EALDH1A1CYP1A2MAPT
SCHEMBL12173270 0.81 EIF4A3 (0.42) EIF4A3PDE2ACYP1A2
SCHEMBL13945794 0.81 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL21139123 0.79 CYP2C9 (0.38) ALDH1A1CYP1A2ALOX15SMN1; SMN2

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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-11220490-B2 Ureas having androgen receptor degradation activity and uses thereof ACCUTAR BIOTECHNOLOGY INC. (US) 2022-01-11 US disclosed
US-20210300901-A1 NOVEL UREAS HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2021-09-30 US disclosed
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2020-12-10 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 (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-20210300901-A1 NOVEL UREAS HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF AR, UTS2R, ESRRA EIF4A3 2307/4885PDE2A 1125/4885KDM4E 1268/4885
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR EIF4A3 3700/4885PDE2A 304/4885KDM4E 4593/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 EIF4A3 2476/4885PDE2A 3940/4885KDM4E 4052/4885
US-11220490-B2 Ureas having androgen receptor degradation activity and uses thereof AR, UTS2R, ESRRA EIF4A3 2462/4885PDE2A 1324/4885KDM4E 1287/4885

“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.