SCHEMBL4949759

SCHEMBL4949759

Cc1cc(C23CC4CC(C2)CC(c2cc(C)c(O)c(C(c5cc(C)c(O)c(C)c5C)c5cc(C)c(O)c(C)c5C)c2)(C4)C3)cc(C(c2cc(C)c(O)c(C)c2C)c2cc(C)c(O)c(C)c2C)c1O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
PGR P06401 2/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL4952497 0.91 CA1 (0.32) ESR1MEN1KMT2APOLB
SCHEMBL4952396 0.86 MEN1 (0.43) ESR1MEN1KMT2AALDH1A1POLB
SCHEMBL4949937 0.86 MEN1 (0.33) ESR1MEN1KMT2AALDH1A1POLB
SCHEMBL4957525 0.84 MEN1 (0.37) ESR1MEN1KMT2AALDH1A1POLB
SCHEMBL4953935 0.84 ESR1 (0.31) ESR1MEN1KMT2A
SCHEMBL4955141 0.82 ESR1 (0.40) ESR1MEN1KMT2AALDH1A1POLB
SCHEMBL4952482 0.82 MEN1 (0.38) ESR1MEN1KMT2AALDH1A1POLB
SCHEMBL2048427 0.81 ACHE (0.43) ESR1MEN1KMT2AALDH1A1POLB
SCHEMBL4955220 0.81 CNR2 (0.38) ESR1MEN1KMT2AALDH1A1POLB
SCHEMBL4953885 0.80 MEN1 (0.37) ESR1MEN1KMT2AALDH1A1POLB

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
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-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
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

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-20080242896-A1 1,3-Bis(3-Formyl-4-Hydroxyphenyl)Adamantanes and Polynuclear Polyphenols Derived Therefrom HNMT, NEFM, CD69 ESR1 2358/4885MEN1 4682/4885KMT2A 2847/4885

“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.