SCHEMBL22965356

SCHEMBL22965356

CC(C)(C)COCC(=O)N1CCN(c2ccc(CNC(C)(C)C)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ GRM5 P41594 4/20 0.48
▸ MAPT P10636 8/20 0.46
▸ HTT P42858 4/20 0.46
▸ GAA P10253 5/20 0.45
▸ ALOX15 P16050 5/20 0.45
▸ ALOX12 P18054 5/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ GFER P55789 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ME2 P23368 1/20 0.44

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
SCHEMBL18591763 0.89 MAPT (0.47) ALDH1A1MAPTHTTGAAALOX15
SCHEMBL18592219 0.89 ALDH1A1 (0.48) ALDH1A1GRM5MAPTHTTGAA
SCHEMBL21026182 0.81 ME2 (0.49) ALDH1A1MAPTHTTGAAALOX15
SCHEMBL18591747 0.77 DRD4 (0.41) ALDH1A1MAPTGAAHSD17B10
SCHEMBL23664609 0.76 SMN1; SMN2 (0.45) ALDH1A1MAPTHTTGAAALOX15
SCHEMBL13959039 0.73 LMNA (0.63) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL13959027 0.73 HSP90AA1 (0.60) ALDH1A1MAPTHTTGAAALOX15
SCHEMBL12929946 0.72 NCF1 (0.60) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL13959023 0.72 RAB9A (0.61) ALDH1A1MAPTHTTALOX15SMN1; SMN2
SCHEMBL27116715 0.71 SMN1; SMN2 (0.45) ALDH1A1MAPTHTTGAAALOX15

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-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-08-25 — — US disclosed
US-20210040081-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. 2021-02-11 — — 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-20210040081-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 ALDH1A1 1117/4885GRM5 479/4885MAPT 2535/4885
US-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ADRM1, MDM2, ESR2 ALDH1A1 2935/4885GRM5 1204/4885MAPT 2402/4885

“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.

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