SCHEMBL23475005

SCHEMBL23475005

CC(C)(C)Oc1ccc(OCN2CC[C@H](C(F)(F)F)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HRH3 Q9Y5N1 8/20 0.38
MAOB P27338 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
TSHR P16473 1/20 0.34
HTR7 P34969 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL23474997 1.00 GAA (0.38) GAAHRH3MAOBSLC6A4MEN1
SCHEMBL23474916 1.00 GAA (0.38) GAAHRH3MAOBSLC6A4MEN1
SCHEMBL23474963 0.89 ALDH1A1 (0.33) GAAHRH3MAOBSLC6A4TSHR
SCHEMBL23474913 0.82 HRH3 (0.47) HRH3MAOBMEN1KMT2ASIGMAR1
SCHEMBL23474957 0.82 HRH3 (0.47) HRH3MAOBMEN1KMT2ASIGMAR1
SCHEMBL23475002 0.82 HRH3 (0.47) HRH3MAOBMEN1KMT2ASIGMAR1
SCHEMBL23474891 0.81 SIGMAR1 (0.37) HRH3MAOBSIGMAR1
SCHEMBL23474806 0.81 SIGMAR1 (0.37) HRH3MAOBSIGMAR1
SCHEMBL23474848 0.81 SIGMAR1 (0.37) HRH3MAOBSIGMAR1
SCHEMBL23474915 0.80 HRH3 (0.38) HRH3MAOBMEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-06-10 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 (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-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS CDK6, ESR1, CDK4 GAA 3365/4885HRH3 2518/4885MAOB 3572/4885

“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.