SCHEMBL21854475

SCHEMBL21854475

COC(=O)c1cc(C)c(O)c(I)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ XDH P47989 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ GFER P55789 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ FUT7 Q11130 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CA12 O43570 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA7 P43166 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ CA14 Q9ULX7 3/20 0.53
▸ ESR1 P03372 4/20 0.49
▸ CNR2 P34972 2/20 0.46

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
SCHEMBL5223931 0.92 KDM4E (0.65) KDM4ETDP1XDHLMNAPOLB
SCHEMBL198717 0.88 KDM4E (0.65) KDM4ETDP1XDHLMNAPOLB
SCHEMBL31401490 0.85 CA1 (0.48) KDM4ETDP1XDHLMNAPOLB
SCHEMBL3353446 0.82 LMNA (0.77) KDM4ETDP1XDHLMNAPOLB
SCHEMBL4512642 0.82 CA1 (0.54) KDM4ETDP1XDHLMNAPOLB
SCHEMBL31401271 0.81 CA12 (0.46) KDM4ETDP1XDHLMNAPOLB
SCHEMBL18301336 0.81 CA12 (0.46) KDM4ETDP1XDHLMNAPOLB
SCHEMBL1312438 0.81 KDM4E (0.58) KDM4ETDP1XDHLMNAPOLB
SCHEMBL401621 0.81 LMNA (0.56) KDM4ETDP1XDHLMNAPOLB
SCHEMBL3356220 0.81 KDM4E (0.53) KDM4ETDP1XDHLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684633-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-09-24 — — CN disclosed
CN-113195441-B Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-07-12 — — CN disclosed
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-12-01 — — US disclosed
CN-113195441-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2021-07-30 — — CN disclosed
US-11059795-B2 Androgen receptor modulators and methods for their use ESSA PHARMA, INC. (CA) 2021-07-13 — — US disclosed
US-11059795-B2 Androgen receptor modulators and methods for their use ESSA PHARMA, INC. (CA) 2021-07-13 — — US disclosed
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-08-06 — — US disclosed
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-08-06 — — US disclosed
WO-2020081999-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 — — WO disclosed
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 — — US disclosed
WO-2020081999-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 — — WO disclosed
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 — — 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-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 KDM4E 3774/4885TDP1 3384/4885XDH 1296/4885
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 KDM4E 3774/4885TDP1 3384/4885XDH 1296/4885
US-11059795-B2 Androgen receptor modulators and methods for their use AR, NR5A1, CYP17A1 KDM4E 3774/4885TDP1 3384/4885XDH 1296/4885
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 KDM4E 3774/4885TDP1 3384/4885XDH 1296/4885

“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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