SCHEMBL4927009

SCHEMBL4927009

C1=CC([W]C2C=Cc3ccccc32)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR6 P50406 1/20 0.40
BRD4 O60885 1/20 0.37
CCL2 P13500 1/20 0.37
SIGMAR1 Q99720 6/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP2D6 P10635 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL4927002 1.00 HTR2A (0.41) HTR2AHTR6BRD4CCL2SIGMAR1
SCHEMBL5698322 0.74 HTR2A (0.44) HTR2AHTR6BRD4CCL2SIGMAR1
Fluoride SCHEMBL28997532 0.73 HTR2A (0.40) HTR2AHTR6BRD4CCL2SIGMAR1
SCHEMBL16321976 0.73 HTR2A (0.40) HTR2AHTR6BRD4CCL2SIGMAR1
SCHEMBL4473142 0.73 HTR2A (0.40) HTR2AHTR6BRD4CCL2SIGMAR1
SCHEMBL29474414 0.73 HTR2A (0.40) HTR2AHTR6BRD4CCL2SIGMAR1
SCHEMBL60674 0.73 HTR2A (0.40) HTR2AHTR6BRD4CCL2SIGMAR1
Fluoride SCHEMBL5183514 0.73 HTR2A (0.40) HTR2AHTR6BRD4CCL2SIGMAR1
Fluoride SCHEMBL7560410 0.73 HTR2A (0.40) HTR2AHTR6BRD4CCL2SIGMAR1
Fluoride SCHEMBL27758148 0.73 HTR2A (0.40) HTR2AHTR6BRD4CCL2SIGMAR1

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
US-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 US disclosed
WO-2012113889-A1 PROCESSES FOR THE STEREOSELECTIVE PREPARATION OF P-CHIRAL FOUR -COORDINATED PHOSPHORUS BORANE COMPOUNDS AND P-CHIRAL THREE-COORDINATED PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2012-08-30 WO disclosed
US-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 US disclosed
EP-1751170-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2007-02-14 EP disclosed
WO-2005118603-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2005-12-15 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-20080255391-A1 Chiral Phosphorus Compounds PHOSPHO1, PNKP, PTMS HTR2A 4241/4885HTR6 4122/4885BRD4 3164/4885

“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.