SCHEMBL5346885

SCHEMBL5346885

C=CC(=O)OC1(C(C)C#N)C2CC3CC(C2)CC1C3

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 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
SCHEMBL525197 0.83 TSHR (0.34) TSHR
SCHEMBL5356852 0.82 HSD11B1 (0.33) HSD11B1
SCHEMBL5349549 0.80 HSD11B1 (0.33) HSD11B1DPP4ALDH1A1MAPTTSHR
SCHEMBL4403803 0.78 TSHR (0.34) TSHR
SCHEMBL6330636 0.77 TSHR (0.30) TSHR
SCHEMBL13146783 0.77 HSD11B1 (0.33) HSD11B1
SCHEMBL4406080 0.77 TSHR (0.32) TSHR
SCHEMBL4399179 0.76 TSHR (0.33) TSHR
SCHEMBL4403808 0.74 TSHR (0.33) TSHR
SCHEMBL15279310 0.74 HSD11B1 (0.40) HSD11B1

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-7312354-B2 Adamantane derivative and production process for the same IDEMITSU KOSAN CO., LTD. (JP) 2007-12-25 US disclosed
EP-1731504-A1 ADAMANTANE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-12-13 EP disclosed
US-20060167302-A1 Adamantane derivative and production process for the same IDEMITSU KOSAN CO., LTD (JP) 2006-07-27 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-20060167302-A1 Adamantane derivative and production process for the same DDAH1, RIMKLA, MEP1A HSD11B1 2047/4885DPP4 1756/4885ALDH1A1 176/4885

“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.