SCHEMBL4607135

SCHEMBL4607135

CC1C2CC3CC(O)(C2)CC1(O)C3

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
HSD11B1 P28845 2/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL6231101 0.78 PKM (0.38) PKMHSD11B1ALDH1A1
Methane SCHEMBL28176122 0.77 PKM (0.37) PKMALDH1A1
SCHEMBL13171654 0.76 PKM (0.44) PKMHSD11B1ALDH1A1
SCHEMBL678264 0.72 GRIN2D (0.33)
SCHEMBL28015550 0.72
Formic Acid SCHEMBL28710837 0.70 EPHX2 (0.33) PKMHSD11B1
SCHEMBL15858211 0.67 PKM (0.64) PKMHSD11B1ALDH1A1
SCHEMBL14791285 0.67 PKM (0.64) PKMHSD11B1ALDH1A1
SCHEMBL424418 0.67 PKM (0.64) PKMHSD11B1ALDH1A1
SCHEMBL15467155 0.67 PKM (0.64) PKMHSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557472-A Adamantane derivative, preparation method and application in epoxy resin UNIV BEIJING CHEMICAL 2015-04-29 CN disclosed
EP-1336597-B1 Hydroxyphenyl adamantanes and process for the production of the same HONSHU CHEMICAL IND (JP) 2008-07-16 EP disclosed
US-6720460-B2 FORMING HEAT RESISTANT, MECHANICAL STRENGTH POLYMER ADDITIVES; ACID CATALYZED REACTION OF ADAMANTANE DIOL OR TRIOL WITH PHENOLIC DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-13 US disclosed
US-20030187307-A1 Hydroxyphenyl adamantanes and process for the production of the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2003-10-02 US disclosed
EP-1336597-A1 Hydroxyphenyl adamantanes and process for the production of the same Honshu Chemical Industry Co., Ltd. (JP) 2003-08-20 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-20030187307-A1 Hydroxyphenyl adamantanes and process for the production of the same CYP8B1, DHPS, P4HA1 PKM 1812/4885HSD11B1 9/4885ALDH1A1 118/4885

“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.