SCHEMBL17876322

SCHEMBL17876322

c1ccc(-c2ccccc2P(c2cccc3c2OCC3)c2cccc3c2OCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
PRCP P42785 1/20 0.36
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.34
HTR7 P34969 3/20 0.33
DRD2 P14416 1/20 0.33
HRH1 P35367 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR1A P08908 2/20 0.32
DRD1 P21728 1/20 0.32
RORC P51449 1/20 0.32
EED O75530 1/20 0.32
ANPEP P15144 1/20 0.31
IL1RN P18510 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL17875571 0.91 PARP1 (0.44) PARP1SLC6A2SLC6A4KCNH2GRM2
SCHEMBL1833547 0.85 PARP1 (0.50) PARP1SLC6A2SLC6A4KCNH2GRM2
SCHEMBL28230835 0.82 PARP1 (0.47) PARP1PRCPSLC6A2SLC6A4KCNH2
SCHEMBL16362041 0.81 DRD1 (0.49) PARP1SLC6A2SLC6A4KCNH2GRM2
SCHEMBL1840364 0.81 DRD1 (0.45) PARP1SLC6A2SLC6A4KCNH2GRM2
SCHEMBL16362125 0.77 PARP1 (0.41) PARP1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL16362124 0.77 PARP1 (0.41) PARP1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL1835087 0.75 PARP1 (0.40) PARP1HTR1A
SCHEMBL16325179 0.75 HTR2A (0.40) PARP1SLC6A2SLC6A4HTR7DRD2
SCHEMBL16361856 0.75 HTR2A (0.40) PARP1SLC6A2SLC6A4HTR7DRD2

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 3058/4885PRCP 3206/4885SLC6A2 2602/4885

“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.