SCHEMBL6862698

SCHEMBL6862698

CC12CC3CC(C1)CC(C(=O)Br)(C3)C2(C)C(=O)Br

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30
HSD11B1 P28845 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
SCHEMBL6861107 0.74 TSHR (0.35) TSHRGAA
SCHEMBL4889920 0.74 ALDH1A1 (0.33) TSHRGAA
Hydrochloric Acid SCHEMBL27509387 0.73 PKM (0.33) TSHRGAA
Bromide SCHEMBL27493953 0.73 ALDH1A1 (0.32) TSHRGAA
SCHEMBL6854367 0.73 EPHX1 (0.33) GAA
SCHEMBL6854374 0.72 EPHX1 (0.34) GAAHSD11B1
SCHEMBL14246423 0.68 ALDH1A1 (0.33) TSHRGAA
SCHEMBL6861145 0.65 PKM (0.31) GAA
SCHEMBL1072980 0.64 ALDH1A1 (0.36) TSHRGAA
SCHEMBL6859448 0.64 EPHX2 (0.39) TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 EP 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 TSHR 2410/4885GAA 4674/4885HSD11B1 276/4885

“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.