SCHEMBL3229788

SCHEMBL3229788

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
HSD11B1 P28845 2/20 0.35
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DPP4 P27487 4/20 0.32
MDH1 P40925 1/20 0.31
MDH2 P40926 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3290103 0.89 DPP8 (0.37) PKMHSD11B1DPP8DPP9ALDH1A1
SCHEMBL7171010 0.86 MAPT (0.33) MAPT
SCHEMBL22728354 0.85 PKM (0.39) PKMHSD11B1DPP8DPP9ALDH1A1
SCHEMBL1817331 0.84 TSHR (0.39) MAPTDPP4
SCHEMBL242186 0.83 NAAA (0.39) ALDH1A1NPSR1
SCHEMBL13015773 0.83 PKM (0.37) PKMHSD11B1DPP8DPP9ALDH1A1
SCHEMBL15281467 0.83 PKM (0.37) PKMHSD11B1DPP8DPP9ALDH1A1
SCHEMBL13383446 0.83 PKM (0.37) PKMHSD11B1DPP8DPP9ALDH1A1
SCHEMBL41045 0.83 PKM (0.37) PKMHSD11B1DPP8DPP9ALDH1A1
SCHEMBL5607853 0.82 PKM (0.41) PKMHSD11B1DPP8DPP9ALDH1A1

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
CN-103772252-B Onium salt compound, acid amplifier derived therefrom, and resist composition comprising same 锦湖石油化学株式会社 2017-01-11 CN disclosed
US-20100048757-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITION, AND CURED PRODUCT OF THE RESIN COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 US disclosed
EP-2090564-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITION, AND CURED PRODUCT OF THE RESIN COMPOSITION Idemitsu Kosan Co., Ltd. (JP) 2009-08-19 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-20100048757-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITION, AND CURED PRODUCT OF THE RESIN COMPOSITION DNMT3A, PRMT5, MEP1A PKM 4727/4885HSD11B1 822/4885DPP8 3728/4885

“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.