SCHEMBL6800360

SCHEMBL6800360

OP(O)O.c1ccc(-c2cccc3c2-c2ccccc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
BCL2L1 Q07817 1/20 0.44
HNF4A P41235 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BACE1 P56817 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CYP2A6 P11509 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BCAT2 O15382 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL30395776 0.91 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDBCL2L1HNF4A
SCHEMBL2373718 0.91 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDBCL2L1HNF4A
SCHEMBL2167186 0.91 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDBCL2L1HNF4A
Phosphine SCHEMBL27403569 0.88 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1HNF4A
Hydrogen Sulfide SCHEMBL27549591 0.88 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1HNF4A
SCHEMBL7537444 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1HNF4A
SCHEMBL29108665 0.86 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDBCL2L1HNF4A
SCHEMBL11762758 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDBCL2L1HNF4A
SCHEMBL30355086 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDBCL2L1HNF4A
SCHEMBL7922689 0.84 HNF4A (0.45) ALDH1A1HSD17B10HPGDBCL2L1HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703507-B2 NONAQUEOUS LIQUID COMPRISING THE AMMONIUM SALT OF A SULFONATED OR CARBOXYLATED PHOSPHITE LIGAND; USE AS A MEDIA FOR CHEMICAL REACTIONS, INCLUDING THOSE USING TRANSITION METAL CATALYSTS CELANESE CHEMICALS EUROPE GMBH (DE) 2004-03-09 US disclosed
US-20020161261-A1 Nonaqueous liquid comprising the ammonium salt of a sulfonated or carboxylated phosphite ligand; use as a media for chemical reactions, including those using transition metal catalysts CELANESE CHEMICALS EUROPE GMBH (DE) 2002-10-31 US disclosed
US-6472565-B1 Method for producing aldehydes CELANESE CHEMICALS EUROPE GMBH (DE) 2002-10-29 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-20020161261-A1 Nonaqueous liquid comprising the ammonium salt of a sulfonated or carboxylated phosphite ligand; use as a media for chemical reactions, including those using transition metal catalysts SLC11A2, NSUN2, SSB ALDH1A1 4700/4885HSD17B10 4264/4885HPGD 3243/4885

“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.