SCHEMBL4955183

SCHEMBL4955183

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.33
POLB P06746 2/20 0.32
PGR P06401 3/20 0.32
ESR1 P03372 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2B6 P20813 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
TYR P14679 1/20 0.31
CNR2 P34972 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4949774 0.88 PGR (0.32) POLBPGRESR1MEN1KMT2A
SCHEMBL4954131 0.84
SCHEMBL211920 0.82 ERN1 (0.39) ERN1POLBPGRESR1MEN1
SCHEMBL4954636 0.81 ERN1 (0.34) ERN1ALDH1A1CYP1A2CYP3A4CYP2B6
SCHEMBL4954623 0.81 ESR1 (0.33) ERN1POLBPGRESR1MEN1
SCHEMBL4955291 0.80 ESR1 (0.35) ERN1POLBPGRESR1MEN1
SCHEMBL4954700 0.79 PTGS1 (0.33) ERN1POLBPGRESR1MEN1
SCHEMBL4955197 0.77 PGR (0.33) ERN1POLBPGRESR1MEN1
SCHEMBL4954496 0.75 PGR (0.36) PGRESR1MEN1KMT2A
SCHEMBL4953614 0.74 ESR1 (0.40) POLBPGRESR1MEN1KMT2A

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-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
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 ERN1 3504/4885POLB 457/4885PGR 2798/4885

“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.