SCHEMBL2940772

SCHEMBL2940772

c1ccc(P(OC2CCCCC2)OC2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
IDO1 P14902 2/20 0.35
CYP3A4 P08684 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
G6PC1 P35575 1/20 0.32
SLC18A3 Q16572 1/20 0.32
HPGD P15428 1/20 0.32
METAP2 P50579 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
SCHEMBL4454309 0.94 CYP3A4 (0.35) FABP7FABP5CYP3A4TDP1
SCHEMBL4458092 0.89 CYP3A4 (0.38) CYP3A4TDP1
SCHEMBL1726166 0.83 FABP7 (0.36) FABP7FABP5IDO1CYP3A4NPSR1
SCHEMBL4451111 0.77 CYP3A4 (0.35) FABP7FABP5CYP3A4TDP1
SCHEMBL5599006 0.74 HRH1 (0.38) CYP3A4NPSR1FAAHMGLLCYP2C9
SCHEMBL5598756 0.72 ROCK2 (0.30)
Benzene SCHEMBL11312352 0.72 CA1 (0.32) FABP7FABP5FAAHMGLL
SCHEMBL1726180 0.72 RAB9A (0.38) FABP7FABP5IDO1FAAHMGLL
SCHEMBL1726398 0.72 RAB9A (0.38) FABP7FABP5IDO1FAAHMGLL
SCHEMBL4457992 0.71 CYP3A4 (0.38) CYP3A4TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4130590-A FROM CONJUGATED DIENES AND AMMONIA OR AN AMINE, PALLADIUM COMPOUND-PHOSPHONITE CATALYST MONSANTO COMPANY (US) 1978-12-19 US claimed
CN-102341175-A Selective hydrogenation catalyst and methods of making and using same CHEVRON PHILLIPS CHEMICAL CO 2012-02-01 CN disclosed
EP-1411086-B1 THERMOPLASTIC POLYMER COMPOSITION KURARAY CO (JP) 2010-09-15 EP disclosed
US-7138447-B2 Thermoplastic polymer composition KURARAY CO., LTD. (JP) 2006-11-21 US disclosed
US-20040176525-A1 Thermoplastic polymer composition KURARAY CO., LTD. (JP) 2004-09-09 US disclosed
US-6784226-B2 COMPOUNDING STYRENIC RESIN WITH GREATER THAN 2 WT % WATER AND ANTIOXIDANT PREPARED BY BLENDING ORGANIC PHOSPHITE OR PHOSPHONITE WITH ACID-BINDING METAL SALT TREATED WITH SURFACE CONDITIONING AGENT CHI MEI CORPORATION (TW) 2004-08-31 US disclosed
EP-1411086-A1 THERMOPLASTIC POLYMER COMPOSITION Kuraray Co., Ltd. (JP) 2004-04-21 EP disclosed
US-20030114559-A1 Process for producing a styrenic resin composition CHI MEI CORPORATION 2003-06-19 US disclosed
US-20020002222-A1 PHOSPHORUS-CONTAINING ANTIOXIDANT STABILIZED AGAINST HYDROLYSIS CHI MEI CORPORATION (TW) 2002-01-03 US disclosed
US-4305839-A PHOSPHITES AND PHOSPHONITES FOR COLOR STABILITY CARSTAB CORPORATION (US) 1981-12-15 US disclosed
US-4130590-A FROM CONJUGATED DIENES AND AMMONIA OR AN AMINE, PALLADIUM COMPOUND-PHOSPHONITE CATALYST MONSANTO COMPANY (US) 1978-12-19 US disclosed
US-4100194-A REACTIONNOF CONJUGATED DIENES WITH AMMONIA AND AMINES IN HYDROXYLIC SOLVENT MONSANTO COMPANY (US) 1978-07-11 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-20020002222-A1 PHOSPHORUS-CONTAINING ANTIOXIDANT STABILIZED AGAINST HYDROLYSIS LPO, GPX4, GPX1 FABP7 906/4885FABP5 458/4885IDO1 1559/4885

“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.