SCHEMBL20076110

SCHEMBL20076110

OCC(CO)(CCOCc1ccccc1)Cc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.46
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NAAA Q02083 1/20 0.37
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
CCR5 P51681 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL8352025 0.84 KDM4E (0.53) CHRM3KDM4EPOLBTSHRCHRM2
SCHEMBL9241218 0.84 KDM4E (0.53) CHRM3KDM4EPOLBTSHRCHRM2
SCHEMBL4768252 0.80 TSHR (0.61) CHRM3TSHRNAAAIDO1
SCHEMBL20115563 0.78 KDM4E (0.51) CHRM3KDM4EPOLBTSHRCHRM2
SCHEMBL14672594 0.76 KDM4E (0.56) CHRM3KDM4EPOLBTSHRCHRM2
SCHEMBL30124003 0.76 KDM4E (0.56) CHRM3KDM4EPOLBTSHRCHRM2
SCHEMBL13950710 0.76 KDM4E (0.56) CHRM3KDM4EPOLBTSHRCHRM2
SCHEMBL2658064 0.76 TSHR (0.54) CHRM3TSHRNAAAIDO1
SCHEMBL2657770 0.75 TSHR (0.71) CHRM3TSHRNAAAIDO1LMNA
SCHEMBL6952158 0.75 TAAR1 (0.39) IDO1

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-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO 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 (1 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 CHRM3 2654/4885KDM4E 706/4885POLB 3138/4885

“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.