SCHEMBL4636623

SCHEMBL4636623

[O]C(=O)C1(O)c2ccccc2Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 4/20 0.39
CHRM3 P20309 5/20 0.38
P2RX4 Q99571 4/20 0.37
ATM Q13315 1/20 0.37
CHRM2 P08172 4/20 0.37
CHRM1 P11229 4/20 0.37
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL524491 0.83 THRB (0.61) THRBTDP1ALOX5CHRM3P2RX4
Bromide SCHEMBL27764709 0.82 THRB (0.59) THRBTDP1ALOX5CHRM3P2RX4
Bromomethane SCHEMBL208816 0.79 THRB (0.55) THRBTDP1ALOX5CHRM3P2RX4
SCHEMBL4636487 0.78 ALOX5 (0.38) ALOX5CHRM3P2RX4ATMCHRM2
SCHEMBL4220071 0.77 P2RX4 (0.45) THRBTDP1ALOX5CHRM3P2RX4
SCHEMBL4636492 0.76 THRB (0.68) THRBTDP1CHRM3CHRM2CHRM1
SCHEMBL7125471 0.75 CHRM3 (0.38) THRBTDP1ALOX5CHRM3P2RX4
SCHEMBL7970207 0.75 ALOX5 (0.44) THRBTDP1ALOX5CHRM3P2RX4
SCHEMBL21842178 0.75 ALOX5 (0.44) THRBTDP1ALOX5CHRM3P2RX4
SCHEMBL12083433 0.73 THRB (0.36) THRBTDP1ALOX5CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US claimed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP claimed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP claimed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO claimed
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US disclosed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP disclosed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO 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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 THRB 4152/4885TDP1 1963/4885ALOX5 1320/4885

“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.