SCHEMBL4606649

SCHEMBL4606649

CC(C)c1cc(C23CC4CC(C2)C(C)C(c2ccc(O)c(C(C)C)c2)(C4)C3)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL4606562 0.84 MEN1 (0.41) MEN1POLBGAAGFERKMT2A
SCHEMBL4264044 0.82 MEN1 (0.53) MEN1POLBGAAGFERKMT2A
SCHEMBL4606120 0.80 MEN1 (0.37) MEN1POLBGAAGFERKMT2A
SCHEMBL4954131 0.77
SCHEMBL27451017 0.77 MEN1 (0.65) MEN1POLBGAAGFERKMT2A
SCHEMBL6763599 0.77 MEN1 (0.47) MEN1POLBGAAGFERKMT2A
SCHEMBL4953914 0.75 MEN1 (0.44) MEN1POLBGAAGFERKMT2A
SCHEMBL4953601 0.74
SCHEMBL4952371 0.72
SCHEMBL3974987 0.71 MEN1 (0.49) MEN1POLBGAAGFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456323-B2 1,3-bis(3-formyl-4-hydroxyphenyl)adamantanes and polynuclear polyphenols derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2008-11-25 US disclosed
US-20080242896-A1 1,3-Bis(3-Formyl-4-Hydroxyphenyl)Adamantanes and Polynuclear Polyphenols Derived Therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-02 US 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 (2 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 MEN1 1025/4885POLB 727/4885GAA 1520/4885
US-20080242896-A1 1,3-Bis(3-Formyl-4-Hydroxyphenyl)Adamantanes and Polynuclear Polyphenols Derived Therefrom HNMT, NEFM, CD69 MEN1 4682/4885POLB 457/4885GAA 879/4885

“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.