SCHEMBL24099786

SCHEMBL24099786

BCCC(=O)OC(=O)CCB

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 2/20 0.33
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31

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
SCHEMBL23839331 0.87 ALDH1A1 (0.75) ALDH1A1TSHR
SCHEMBL12189706 0.78
SCHEMBL13176819 0.75
SCHEMBL7967806 0.72
SCHEMBL12600958 0.69 HDAC6 (0.37) TSHR
SCHEMBL2824852 0.69 ALDH1A1 (0.53) ALDH1A1TSHRPRSS1CTSGCTRB1
SCHEMBL27804583 0.67 KDM4E (0.62) ALDH1A1TSHR
SCHEMBL15345266 0.67 KDM4E (0.62) ALDH1A1TSHR
SCHEMBL11219823 0.67 ALDH1A1 (0.43) ALDH1A1TSHRPRSS1CTSGCTRB1
SCHEMBL775733 0.67 ALDH1A1 (0.50) ALDH1A1TSHRPRSS1CTSGCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210388002-A1 DIMETHOXYBENZENE COMPOUND ANALOGS, METHODS FOR ANALYZING SAID COMPOUNDS AND STANDARD PRODUCTS OF SAID COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-12-16 US disclosed
US-20210387990-A1 METHOD FOR PRODUCING DIMETHOXYBENZENE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-12-16 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 (2 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-20210387990-A1 METHOD FOR PRODUCING DIMETHOXYBENZENE COMPOUND CYP1B1, PAH, CYP4B1 ALDH1A1 40/4885TSHR 4443/4885PRSS1 3387/4885
US-20210388002-A1 DIMETHOXYBENZENE COMPOUND ANALOGS, METHODS FOR ANALYZING SAID COMPOUNDS AND STANDARD PRODUCTS OF SAID COMPOUNDS DDC, PAH, DDT ALDH1A1 12/4885TSHR 4454/4885PRSS1 2796/4885

“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.