SCHEMBL20046849

SCHEMBL20046849

C=Cc1cc(OCCCCCCO)c(F)cc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.34
HSP90AA1 P07900 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TTR P02766 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
SCN9A Q15858 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
PPARA Q07869 1/20 0.33
CA2 P00918 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
EGFR P00533 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
SCHEMBL20046852 0.89 MAPT (0.40) KDM4EMAPTHSP90AA1ALDH1A1CYP1A2
SCHEMBL26580318 0.81 CA2 (0.37) KDM4EMAPTHSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL34465654 0.80 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL20046869 0.80 KDM4E (0.39) KDM4EMAPTALDH1A1POLBCA2
SCHEMBL31306166 0.78 CA12 (0.38) KDM4EMAPTALDH1A1HPGDPOLB
SCHEMBL31238642 0.75 SMPD1 (0.43) KDM4EMAPTHSP90AA1ALDH1A1CYP1A2
SCHEMBL14261936 0.74 THRA (0.46) MAPTSCN9ALMNATHRATHRB
SCHEMBL24746194 0.72 SOS1 (0.40) KDM4EALDH1A1NPSR1POLBLMNA
SCHEMBL22802075 0.72 CA12 (0.42) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL24816881 0.71 FFAR4 (0.36) KDM4EMAPTHSP90AA1ALDH1A1CYP1A2

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 KDM4E 706/4885MAPT 2938/4885HSP90AA1 2815/4885
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN KDM4E 713/4885MAPT 2970/4885HSP90AA1 2802/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN KDM4E 713/4885MAPT 2970/4885HSP90AA1 2802/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN KDM4E 706/4885MAPT 2938/4885HSP90AA1 2815/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN KDM4E 713/4885MAPT 2970/4885HSP90AA1 2802/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN KDM4E 713/4885MAPT 2970/4885HSP90AA1 2802/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN KDM4E 706/4885MAPT 2938/4885HSP90AA1 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.