SCHEMBL22508014

SCHEMBL22508014

CC(C)(C)NCCc1ccc(OCC(C)(C)NCCc2c[nH]cn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
CASR P41180 1/20 0.31
POLB P06746 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL13622107 0.80 HRH4 (0.39) ALDH1A1KDM4E
SCHEMBL21569587 0.72 HRH4 (0.44) POLB
SCHEMBL22508015 0.68
SCHEMBL14176505 0.67 NPC1 (0.44) ALDH1A1KDM4E
SCHEMBL7977271 0.67 ALDH1A1 (0.44) ALDH1A1
SCHEMBL9670903 0.67 SMN1; SMN2 (0.54) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL13958915 0.66 HRH4 (0.32)
SCHEMBL7973104 0.66 MAPT (0.43) ALDH1A1KDM4E
SCHEMBL21569589 0.66 HRH4 (0.32)
SCHEMBL22548723 0.65 ALDH1A1 (0.41) ALDH1A1KDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059801-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-13 US disclosed
US-20200317635-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-08 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 (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-11059801-B2 Methods to induce targeted protein degradation through bifunctional molecules CRBN, XIAP, MDM2 ALDH1A1 3984/4885KDM4E 3281/4885ITGB3 4201/4885
US-20200317635-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP ALDH1A1 3779/4885KDM4E 3648/4885ITGB3 4297/4885

“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.