SCHEMBL17875581

SCHEMBL17875581

c1cc(OP(c2cccc3c2OCC3)c2cccc3c2OCC3)cc(OP(c2cccc3c2OCC3)c2cccc3c2OCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
HRH1 P35367 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GRM2 Q14416 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL17875566 0.81 PARP1 (0.41) PARP1SLC6A2SLC6A4HRH1SLC6A3
SCHEMBL16362111 0.79 PARP1 (0.39) PARP1HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL1833547 0.76 PARP1 (0.50) PARP1HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL16362115 0.76 MAPT (0.38) PARP1SLC6A2SLC6A4HRH1SLC6A3
SCHEMBL17876422 0.73 PARP1 (0.47) PARP1HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL16324834 0.73 PARP1 (0.47) PARP1HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL17875568 0.73 DRD1 (0.41) PARP1SLC6A2SLC6A4HRH1SLC6A3
SCHEMBL16362041 0.69 DRD1 (0.49) PARP1SLC6A2SLC6A4HRH1SLC6A3
SCHEMBL18559464 0.69 PARP1 (0.44) PARP1HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL9280298 0.69 PARP1 (0.44) PARP1HTR2AHTR2CSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579641-B2 Aryl phosphines with fused ring ortho-alkoxy substitution DOW GLOBAL TECHNOLOGIES LLC (US) 2017-02-28 US disclosed
US-9579641-B2 Aryl phosphines with fused ring ortho-alkoxy substitution DOW GLOBAL TECHNOLOGIES LLC (US) 2017-02-28 US disclosed
US-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-06-30 US disclosed
US-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-06-30 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-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION ALK, PHOSPHO1, MPL PARP1 3058/4885HTR2A 1487/4885HTR2C 1614/4885

“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.