SCHEMBL16079417

SCHEMBL16079417

C=C1C(=O)OC[C@@H]2C(C)CC[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ MITF O75030 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
SCHEMBL9311266 1.00 PAX8 (0.32) PAX8PTGS2MITF
SCHEMBL16079421 1.00 PAX8 (0.32) PAX8PTGS2MITF
SCHEMBL16079350 1.00 PAX8 (0.32) PAX8PTGS2MITF
SCHEMBL16077508 0.82 — —
SCHEMBL21563384 0.70 CYP19A1 (0.40) PAX8PTGS2
SCHEMBL12121169 0.70 — —
SCHEMBL3947301 0.69 — —
SCHEMBL2376391 0.69 — —
SCHEMBL3944987 0.69 — —
SCHEMBL16079420 0.67 — —

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-20140275034-A1 Methods and Compositions Utilizing Lactams Derived from Camphor, Verbenone or Cat Thyme Oil for Repelling Blood-Sucking and Biting Insects, Ticks and Mites THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2014-09-18 — — 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-20140275034-A1 Methods and Compositions Utilizing Lactams Derived from Camphor, Verbenone or Cat Thyme Oil for Repelling Blood-Sucking and Biting Insects, Ticks and Mites TECR, CALCR, FSHR PAX8 2844/4885PTGS2 2919/4885MITF 480/4885

“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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