SCHEMBL22728065

SCHEMBL22728065

CC(C)(C)OC1Cc2ccccc2/C=C\c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
CYP2D6 P10635 2/20 0.33
HTR2A P28223 2/20 0.33
IDO1 P14902 4/20 0.32
KDM4E B2RXH2 3/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 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
SCHEMBL15372611 0.81 RET (0.37) RETCYP2D6HTR2AIDO1KDM4E
SCHEMBL23962066 0.77 HTR2A (0.34) RETCYP2D6HTR2AIDO1KDM4E
SCHEMBL25015354 0.75 POLB (0.42) RETKDM4EDRD2SMN1; SMN2
SCHEMBL24988700 0.73 ALDH1A1 (0.40) CYP2D6HTR2AKDM4ECHRM2CHRM1
SCHEMBL15999207 0.73 IDO1 (0.30) IDO1EPHX2
SCHEMBL24600443 0.72 HTR2A (0.34) RETCYP2D6HTR2AKDM4ELMNA
SCHEMBL19738884 0.69 CYP11B1 (0.35) RETCYP2D6HTR2AIDO1KDM4E
SCHEMBL26419666 0.69 SLC6A2 (0.40) HTR2AIDO1SLC6A2HTR2CHTR2B
SCHEMBL30291043 0.69 SLC6A2 (0.40) HTR2AIDO1SLC6A2HTR2CHTR2B
SCHEMBL25613700 0.69 ALDH1A1 (0.37) RETCYP2D6HTR2AKDM4ELMNA

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-20230201353-A1 SUSTAINED RELEASE DELIVERY SYSTEMS COMPRISING TRACELESS LINKERS NOVARTIS AG (CH) 2023-06-29 US disclosed
US-20220323595-A1 SUSTAINED DELIVERY OF ANGIOPOETIN-LIKE 3 POLYPEPTIDES NOVARTIS AG (CH) 2022-10-13 US disclosed
US-20200376129-A1 SUSTAINED RELEASE DELIVERY SYSTEMS COMPRISING TRACELESS LINKERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-12-03 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 (3 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-20230201353-A1 SUSTAINED RELEASE DELIVERY SYSTEMS COMPRISING TRACELESS LINKERS ABCB11, ABCB1, GHRHR RET 911/4885CYP2D6 113/4885HTR2A 1349/4885
US-20200376129-A1 SUSTAINED RELEASE DELIVERY SYSTEMS COMPRISING TRACELESS LINKERS ABCB11, ABCB1, GHRHR RET 911/4885CYP2D6 113/4885HTR2A 1349/4885
US-20220323595-A1 SUSTAINED DELIVERY OF ANGIOPOETIN-LIKE 3 POLYPEPTIDES TEK, VEGFA, FLT4 RET 1576/4885CYP2D6 4052/4885HTR2A 3931/4885

“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.