SCHEMBL3336588

SCHEMBL3336588

CC[CH]P(=O)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARD Q03181 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
ACHE P22303 1/20 0.33
NR1I2 O75469 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
SCHEMBL7526044 0.79 TSHR (0.56) TSHRTP53TDP1PPARDNPSR1
SCHEMBL27799341 0.79 PPARD (0.44) TSHRTP53TDP1PPARDNPSR1
SCHEMBL5015252 0.77 TSHR (0.53) TSHRTP53TDP1PPARDNPSR1
SCHEMBL6631037 0.74 TSHR (0.50) TSHRTP53TDP1PPARDNPSR1
SCHEMBL1396448 0.74 TSHR (0.50) TSHRTP53TDP1PPARDNPSR1
SCHEMBL11341588 0.74 TSHR (0.43) TSHRTP53TDP1PPARDNPSR1
SCHEMBL14328090 0.74 TSHR (0.43) TSHRTP53TDP1PPARDNPSR1
SCHEMBL5357461 0.72 TSHR (0.48) TSHRTP53TDP1PPARDNPSR1
SCHEMBL19837991 0.72 TSHR (0.48) TSHRTP53TDP1PPARDNPSR1
SCHEMBL282682 0.72 TSHR (0.48) TSHRTP53TDP1PPARDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120094-B2 Polymerization of bis[3-(diethoxyphosphoryl)propyl]diallylammonium chloride KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-09-01 US disclosed
US-9120094-B2 Polymerization of bis[3-(diethoxyphosphoryl)propyl]diallylammonium chloride KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-09-01 US disclosed
US-20150174572-A1 POLYMERIZATION OF BIS[3-(DIETHOXYPHOSPHORYL)PROPYL]DIALLYLAMMONIUM CHLORIDE KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2015-06-25 US disclosed
US-20150174572-A1 POLYMERIZATION OF BIS[3-(DIETHOXYPHOSPHORYL)PROPYL]DIALLYLAMMONIUM CHLORIDE KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2015-06-25 US disclosed
US-20100143960-A1 CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF CIS BIO INTERNATIONAL (FR) 2010-06-10 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 (2 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-20150174572-A1 POLYMERIZATION OF BIS[3-(DIETHOXYPHOSPHORYL)PROPYL]DIALLYLAMMONIUM CHLORIDE PARN, PARG, PNKP TSHR 3204/4885TP53 3048/4885TDP1 1676/4885
US-20100143960-A1 CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF C9, CBR3, C3AR1 TSHR 366/4885TP53 697/4885TDP1 3557/4885

“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.