SCHEMBL5077624

SCHEMBL5077624

O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)/C=C/c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
PLIN1 O60240 2/20 0.64
LMNA P02545 2/20 0.64
RECQL P46063 2/20 0.64
PLIN5 Q00G26 2/20 0.64
ABHD5 Q8WTS1 2/20 0.64
ALDH1A1 P00352 2/20 0.64
F3 P13726 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
TNKS O95271 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53

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
SCHEMBL5077621 1.00 MAPT (0.64) MAPTPLIN1LMNARECQLPLIN5
SCHEMBL7522374 0.82 HSP90AA1 (0.59) MAPTPLIN1LMNARECQLPLIN5
SCHEMBL478244 0.80 MAPT (1.00) MAPTPLIN1LMNARECQLPLIN5
SCHEMBL22146 0.80 MAPT (1.00) MAPTPLIN1LMNARECQLPLIN5
SCHEMBL5347650 0.80 MAPT (1.00) MAPTPLIN1LMNARECQLPLIN5
SCHEMBL20846 0.80 MAPT (1.00) MAPTPLIN1LMNARECQLPLIN5
SCHEMBL28435740 0.80 MAPT (1.00) MAPTPLIN1LMNARECQLPLIN5
SCHEMBL20518814 0.80 MAPT (1.00) MAPTPLIN1LMNARECQLPLIN5
SCHEMBL20856054 0.80 MAPT (1.00) MAPTPLIN1LMNARECQLPLIN5
SCHEMBL28181 0.80 MAPT (1.00) MAPTPLIN1LMNARECQLPLIN5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730095-A4 NOVEL CYCLOPENTENEDIONE ANTIFUNGAL COMPOUNDS AND METHODS FOR THEIR USE UNIV MISSISSIPPI (US) 2008-04-02 EP disclosed
EP-1730095-A2 NOVEL CYCLOPENTENEDIONE ANTIFUNGAL COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF MISSISSIPPI (US) 2006-12-13 EP disclosed
US-7109380-B2 Cyclopentenedione antifungal compounds and methods for their use THE UNIVERSITY OF MISSISSIPPI (US) 2006-09-19 US disclosed
WO-2005091754-A2 NOVEL CYCLOPENTENEDIONE ANTIFUNGAL COMPOUNDS AND METHODS FOR THEIR USE UNIVERSITY OF MISSISSIPPI (US) 2005-10-06 WO disclosed
US-20050215648-A1 Novel cyclopentenedione antifungal compounds and methods for their use AGRICULTURE, UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF, THE 2005-09-29 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-20050215648-A1 Novel cyclopentenedione antifungal compounds and methods for their use CYP51A1, ERG28, CYP4Z1 MAPT 3651/4885PLIN1 2908/4885LMNA 4059/4885

“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.