SCHEMBL4606807

SCHEMBL4606807

CC(C)c1cc(C23CC4(C)CC(C)(C2)CC(c2ccc(O)c(C(C)C)c2)(C4)C3)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ HSP90AA1 P07900 4/20 0.35
▸ HSP90AB1 P08238 4/20 0.35
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ THRB P10828 3/20 0.31
▸ THRA P10827 2/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL6763599 0.81 MEN1 (0.47) GABRA1GABRB2HSP90AA1HSP90AB1LMNA
SCHEMBL4264044 0.78 MEN1 (0.53) LMNAMEN1POLBGAAGFER
SCHEMBL4606957 0.78 ESR1 (0.51) LMNAMEN1POLBGAAGFER
SCHEMBL27451017 0.74 MEN1 (0.65) GABRA1GABRB2HSP90AA1HSP90AB1LMNA
SCHEMBL3418105 0.73 LMNA (0.35) GABRA1GABRB2HSP90AA1HSP90AB1LMNA
SCHEMBL31402579 0.73 ESR1 (0.43) LMNAMEN1POLBGAAGFER
SCHEMBL17042453 0.73 ESR1 (0.43) LMNAMEN1POLBGAAGFER
SCHEMBL4605504 0.72 BACE1 (0.44) MEN1POLBGAAGFERKMT2A
SCHEMBL4954636 0.72 ERN1 (0.34) GABRA1GABRB2HSP90AA1HSP90AB1GAA
SCHEMBL3023143 0.71 ESR1 (0.61) GABRA1GABRB2HSP90AA1HSP90AB1LMNA

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 GABRA1 1504/4885GABRB2 2597/4885HSP90AA1 1741/4885
US-20080242896-A1 1,3-Bis(3-Formyl-4-Hydroxyphenyl)Adamantanes and Polynuclear Polyphenols Derived Therefrom HNMT, NEFM, CD69 GABRA1 1523/4885GABRB2 2126/4885HSP90AA1 107/4885

“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.

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