SCHEMBL20046852

SCHEMBL20046852

COC(=O)c1cc(F)c(OCCCCCCO)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HSP90AA1 P07900 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 2/20 0.36
TTR P02766 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
SCN9A Q15858 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL20046849 0.89 KDM4E (0.36) MAPTALDH1A1HSP90AA1CYP1A2CYP2C9
SCHEMBL26580318 0.82 CA2 (0.37) MAPTALDH1A1HSP90AA1SMN1; SMN2TTR
SCHEMBL34465527 0.80 KDM4E (0.46) MAPTALDH1A1HSP90AA1CYP1A2CYP2C9
SCHEMBL22692263 0.79 KDM4E (0.40) MAPTALDH1A1ERN1POLBCYP4F2
SCHEMBL31306269 0.78 ERN1 (0.48) ALDH1A1ERN1LMNAPOLBKDM4E
SCHEMBL31238642 0.76 SMPD1 (0.43) MAPTALDH1A1HSP90AA1CYP1A2CYP2C9
SCHEMBL16850322 0.76 ERN1 (0.42) MAPTALDH1A1HSP90AA1CYP1A2CYP2C9
SCHEMBL16820555 0.75 KDM4E (0.49) MAPTALDH1A1HSP90AA1CYP1A2CYP2C9
SCHEMBL14261936 0.75 THRA (0.46) MAPTSCN9ALMNAS1PR2S1PR1
SCHEMBL29296039 0.73 ERN1 (0.47) ALDH1A1ERN1LMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2022-02-01 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-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-01-14 US disclosed
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2020-11-24 US disclosed
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2018-04-12 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 (7 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-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN MAPT 2938/4885ALDH1A1 798/4885HSP90AA1 2815/4885
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN MAPT 2970/4885ALDH1A1 824/4885HSP90AA1 2802/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN MAPT 2970/4885ALDH1A1 824/4885HSP90AA1 2802/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN MAPT 2938/4885ALDH1A1 798/4885HSP90AA1 2815/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN MAPT 2970/4885ALDH1A1 824/4885HSP90AA1 2802/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN MAPT 2970/4885ALDH1A1 824/4885HSP90AA1 2802/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN MAPT 2938/4885ALDH1A1 798/4885HSP90AA1 2815/4885

“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.