SCHEMBL21854432

SCHEMBL21854432

COC(=O)COc1ccc(C(C)(C)c2cc(Cl)c(OCCCCl)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
PPARD Q03181 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
AR P10275 2/20 0.43
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.37

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
SCHEMBL22480005 0.88 AR (0.42) PPARDPPARAARKDM4EALDH1A1
SCHEMBL22480023 0.87 KDM4E (0.41) ARKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL22480033 0.87 AR (0.42) ARKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL21854420 0.86 ALDH1A1 (0.50) ARKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL22479957 0.85 AR (0.42) PPARDPPARAARKDM4EALDH1A1
SCHEMBL22479966 0.85 AR (0.41) ARKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL22480124 0.84 L3MBTL1 (0.46) ARKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL23587521 0.84 AR (0.40) ARKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL22480006 0.83 AR (0.49) ARKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL22468736 0.82 AR (0.45) PPARDPPARAARKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 PTGS2 866/4885PPARD 696/4885PPARG 554/4885
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 PTGS2 866/4885PPARD 696/4885PPARG 554/4885
US-11059795-B2 Androgen receptor modulators and methods for their use AR, NR5A1, CYP17A1 PTGS2 866/4885PPARD 696/4885PPARG 554/4885
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 PTGS2 866/4885PPARD 696/4885PPARG 554/4885

“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.