SCHEMBL3422174

SCHEMBL3422174

C=C(C)C(=O)OC12CC3CC(OCCCCCCC4(CC)CCO4)(CC(OCCCCCCC4(CC)CCO4)(C3)C1)C2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32

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
SCHEMBL3420045 1.00 TSHR (0.32) TSHR
SCHEMBL3417821 1.00 TSHR (0.32) TSHR
SCHEMBL3419695 0.99
SCHEMBL3417141 0.96
SCHEMBL3420113 0.93 TSHR (0.36) TSHR
SCHEMBL3418620 0.93 TSHR (0.36) TSHR
SCHEMBL3421434 0.93 TSHR (0.36) TSHR
SCHEMBL3417757 0.93 TSHR (0.33) TSHR
SCHEMBL3418951 0.93 TSHR (0.33) TSHR
SCHEMBL3419716 0.93 TSHR (0.33) TSHR

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-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT IDEMITSU KOSAN CO., LTD. (JP) 2010-05-27 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-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT ARCN1, APP, ADAM17 TSHR 4737/4885

“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.