SCHEMBL239601

SCHEMBL239601

c1ccc(C2CCc3cccc(P(c4ccccc4)c4ccccc4)c3N2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.51
DRD1 P21728 2/20 0.36
PRCP P42785 2/20 0.34
NOS1 P29475 3/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP11B2 P19099 1/20 0.33
GRIN2B Q13224 2/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL242551 0.82 TOP1 (0.43) TOP1CYP11B2CYP3A4
SCHEMBL238687 0.81 TOP1 (0.38) TOP1DRD1CYP3A4TDP1
SCHEMBL19511368 0.78 ESR1 (0.41) PRCPNOS1ESR1ESR2CYP11B2
SCHEMBL29556500 0.77 TOP1 (0.36) TOP1GRIN2BSIGMAR1
SCHEMBL30124970 0.70 ESR1 (0.51) PRCPESR1ESR2CYP11B2GRIN2B
SCHEMBL5051433 0.70 ESR1 (0.51) PRCPESR1ESR2CYP11B2GRIN2B
SCHEMBL13306192 0.70 ESR1 (0.51) PRCPESR1ESR2CYP11B2GRIN2B
SCHEMBL13784817 0.70 ESR1 (0.51) PRCPESR1ESR2CYP11B2GRIN2B
SCHEMBL241233 0.69 NPSR1 (0.34) PRCPNOS1ESR1ESR2CYP11B2
Hydrochloric Acid SCHEMBL30542604 0.68 ESR1 (0.50) PRCPESR1ESR2CYP11B2GRIN2B

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076524-B1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2016-04-20 EP disclosed
EP-2076524-B1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2016-04-20 EP disclosed
US-8735583-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED CO. (GB) 2014-05-27 US disclosed
US-8735583-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED CO. (GB) 2014-05-27 US disclosed
US-8735583-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED CO. (GB) 2014-05-27 US disclosed
US-20130150583-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-13 US disclosed
US-20130150583-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-13 US disclosed
US-20130150583-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-13 US disclosed
US-8404843-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-03-26 US disclosed
US-8404843-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-03-26 US disclosed
US-8222415-B2 Chiral phosphorus compound JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-07-17 US disclosed
US-20120004411-A9 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2012-01-05 US disclosed
US-20120004411-A9 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2012-01-05 US disclosed
US-20120004411-A9 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2012-01-05 US disclosed
US-20100240898-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2010-09-23 US disclosed
US-20100240898-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2010-09-23 US disclosed
US-20100240898-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2010-09-23 US disclosed
EP-2076524-A1 CHIRAL PHOSPHORUS COMPOUND Johnson Matthey Public Limited Company (GB) 2009-07-08 EP disclosed
WO-2008041029-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2008-04-10 WO disclosed
WO-2008041029-A1 CHIRAL PHOSPHORUS COMPOUND JOHNSON MATTHEY PLC (GB) 2008-04-10 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 (3 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-20120004411-A9 CHIRAL PHOSPHORUS COMPOUND PIK3CA, RECQL, P2RY1 TOP1 528/4885DRD1 2720/4885PRCP 2065/4885
US-20100240898-A1 CHIRAL PHOSPHORUS COMPOUND PIK3CA, RECQL, P2RY1 TOP1 528/4885DRD1 2720/4885PRCP 2065/4885
US-20130150583-A1 CHIRAL PHOSPHORUS COMPOUND ALPP, PTH1R, CALCR TOP1 1602/4885DRD1 3542/4885PRCP 1030/4885

“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.