SCHEMBL4606879

SCHEMBL4606879

Cc1cc(O)c(C2CCCCC2)cc1C12CC3CC(C1)CC(c1cc(C4CCCCC4)c(O)cc1C)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
PSMB5 P28074 1/20 0.30
HSD11B1 P28845 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
SCHEMBL6762900 0.92 NUDT1 (0.35) NUDT1BACE1HSP90AA1PSMB5
SCHEMBL4607193 0.85
SCHEMBL4604923 0.82 HSP90AA1 (0.37) NUDT1BACE1HSP90AA1PSMB5
SCHEMBL4607854 0.79 KMT2A (0.39) MEN1POLBGAAGFERKMT2A
SCHEMBL4950150 0.79
SCHEMBL12339884 0.78 KDM4E (0.34) MEN1KMT2A
SCHEMBL8512038 0.77 NUDT1 (0.36) NUDT1BACE1HSP90AA1MEN1KMT2A
SCHEMBL4952411 0.77
SCHEMBL4954642 0.77 MEN1 (0.39) NUDT1BACE1HSP90AA1MEN1POLB
SCHEMBL4955882 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NUDT1 312/4885BACE1 6/4885HSP90AA1 1741/4885

“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.