SCHEMBL23407749

SCHEMBL23407749

CC1(C)OC(c2cc(Cl)c(Oc3ccc(N)c(Cl)c3)c(Cl)c2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL23391600 0.75 CA1 (0.40) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL23391539 0.72 CYP3A4 (0.41) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL273483 0.71 NR4A1 (0.61) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL23407744 0.70 TTR (0.40) TSHRMAPK1
SCHEMBL30838571 0.69 CYP3A4 (0.37) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL23388729 0.69 CYP3A4 (0.37) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL23407747 0.67 THRB (0.37) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL23914190 0.67 — —
SCHEMBL6912094 0.66 THRA (0.45) TSHRTHRATHRB
SCHEMBL5385598 0.65 THRB (0.49) ALDH1A1THRATHRB

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-20210154216-A1 INHIBITORS OF METALLO-BETA-LACTAMASES PRODUCED BY MULTIDRUG-RESISTANT BACTERIA MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2021-05-27 — — 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-20210154216-A1 INHIBITORS OF METALLO-BETA-LACTAMASES PRODUCED BY MULTIDRUG-RESISTANT BACTERIA MANBA, MGAM, GUSB CYP3A4 513/4885TSHR 4181/4885NR4A1 2515/4885

“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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