SCHEMBL6800332

SCHEMBL6800332

CCCCCON(C)C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CA1 P00915 9/20 0.35
CA2 P00918 9/20 0.35
CA9 Q16790 8/20 0.35
LPAR3 Q9UBY5 3/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
NAAA Q02083 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
HCAR2 Q8TDS4 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
SCHEMBL27917760 0.98 TSHR (0.39) TSHRCA1CA2CA9LPAR3
SCHEMBL8997124 0.98 TSHR (0.39) TSHRCA1CA2CA9LPAR3
SCHEMBL4987261 0.93
SCHEMBL6798395 0.83
SCHEMBL27813414 0.76 ADH1C (0.37) TSHRCA1CA2CA9LPAR3
SCHEMBL5490471 0.76 CA1 (0.39) TSHRCA1CA2CA9LPAR3
SCHEMBL3139541 0.74 ADH1C (0.36) TSHRCA1CA2CA9LPAR3
SCHEMBL1566319 0.74 ADH1C (0.40) TSHRCA1CA2CA9LPAR3
SCHEMBL9767729 0.72 ADH1C (0.39) TSHRCA1CA2CA9LPAR3
SCHEMBL10771816 0.72

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
CN-103080080-A 6,7-dihydro-5h-benzo[7]annulene derivatives, process for preparation thereof, pharmaceutical preparations comprising them, and the use thereof for production of medicaments BAYER IP GMBH 2013-05-01 CN disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 TSHR 1903/4885CA1 4466/4885CA2 3850/4885

“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.