SCHEMBL4955291

SCHEMBL4955291

CCc1cc(C23CC4CC(C2)CC(c2cc(C=O)c(O)c(CC)c2)(C4)C3)cc(C=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
PGR P06401 6/20 0.35
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4955197 0.91 PGR (0.33) ESR1PGRERN1ALDH1A1MEN1
SCHEMBL4954496 0.89 PGR (0.36) ESR1PGRMEN1KMT2A
SCHEMBL4954623 0.87 ESR1 (0.33) ESR1PGRERN1ALDH1A1MEN1
SCHEMBL3973937 0.87 ESR1 (0.40) ESR1PGRALDH1A1MEN1KMT2A
SCHEMBL211920 0.83 ERN1 (0.39) ESR1PGRERN1ALDH1A1MEN1
SCHEMBL4949774 0.81 PGR (0.32) ESR1PGRMEN1KMT2APOLB
SCHEMBL4585337 0.81 ALDH1A1 (0.40) ESR1PGRALDH1A1MEN1KMT2A
SCHEMBL4954700 0.80 PTGS1 (0.33) ESR1PGRERN1ALDH1A1MEN1
SCHEMBL4955183 0.80 ERN1 (0.33) ESR1PGRERN1ALDH1A1MEN1
SCHEMBL12936012 0.75 ERN1 (0.44) ERN1MEN1KMT2ALMNAGAA

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 ESR1 2358/4885PGR 2798/4885ERN1 3504/4885

“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.