SCHEMBL22692183

SCHEMBL22692183

C[C@@H](CNC(C)(C)CCC(C)(C)c1cc2cc(OCCCNC(C)(C)C)ccc2o1)Oc1ccc2oc(C(C)(C)C)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.34
MAOA P21397 1/20 0.34
CA4 P22748 4/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
CA9 Q16790 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
NSD2 O96028 1/20 0.30
CA12 O43570 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
SCHEMBL20235057 0.92 TAS1R3 (0.32) LMNA
SCHEMBL22005806 0.91 KDM4E (0.36) MAOBMAOACA4POLBKDM4E
SCHEMBL20234211 0.90 KDM4E (0.38) MAOBMAOACA4POLBKDM4E
SCHEMBL18611618 0.83 KDM4E (0.43) MAOBMAOACA4POLBKDM4E
SCHEMBL26029288 0.83
SCHEMBL19959020 0.82 TAS1R3 (0.37) KDM4EALDH1A1CA9LMNACA12
SCHEMBL18592215 0.82 TAS1R3 (0.37) KDM4EALDH1A1CA9LMNACA12
SCHEMBL26850929 0.81 HDAC6 (0.30)
SCHEMBL19959021 0.80 KDM4E (0.48) MAOBMAOACA4POLBKDM4E
SCHEMBL19963631 0.76 MKNK1 (0.36) MAOBMAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use YALE UNIVERSITY (US) 2023-12-05 US disclosed
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2021-06-10 US disclosed
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-02-11 US disclosed
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2020-11-24 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-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN MAOB 1088/4885MAOA 719/4885CA4 2036/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN MAOB 1088/4885MAOA 719/4885CA4 2036/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN MAOB 1088/4885MAOA 719/4885CA4 2036/4885
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use CRBN, MDM2, UBE2N MAOB 2141/4885MAOA 1807/4885CA4 1628/4885

“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.