SCHEMBL4949774

SCHEMBL4949774

CCC(C)c1cc(C23CC4CC(C2)CC(c2cc(C=O)c(O)c(C(C)CC)c2)(C4)C3)cc(C=O)c1O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4955183 0.88 ERN1 (0.33) PGRESR1POLBMEN1KMT2A
SCHEMBL4955291 0.81 ESR1 (0.35) PGRESR1POLBMEN1KMT2A
SCHEMBL4954623 0.80 ESR1 (0.33) PGRESR1POLBMEN1KMT2A
SCHEMBL211920 0.78 ERN1 (0.39) PGRESR1POLBMEN1KMT2A
SCHEMBL4955197 0.78 PGR (0.33) PGRESR1POLBMEN1KMT2A
SCHEMBL3974987 0.77 MEN1 (0.49) PGRESR1POLBMEN1KMT2A
SCHEMBL4954496 0.76 PGR (0.36) PGRESR1MEN1KMT2A
SCHEMBL4954624 0.76 PGR (0.31) PGRESR1
SCHEMBL4954700 0.75 PTGS1 (0.33) PGRESR1POLBMEN1KMT2A
SCHEMBL4954131 0.73

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 2 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

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 PGR 2798/4885ESR1 2358/4885POLB 457/4885

“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.