SCHEMBL13337643

SCHEMBL13337643

CC#CCOP(=O)(OCC#CC)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
KCNN4 O15554 1/20 0.33
ALDH1A1 P00352 4/20 0.33
ADAM17 P78536 2/20 0.33
TSHR P16473 1/20 0.33
DRD2 P14416 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
CYP2D6 P10635 1/20 0.33
DRD4 P21917 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL13337646 0.84 KCNN4 (0.32) MMP1MMP2MMP9MMP12KCNN4
SCHEMBL13337653 0.79 CA12 (0.40) KCNN4ALDH1A1TSHRPTPN1
SCHEMBL13337650 0.77 NPSR1 (0.48) KCNN4ALDH1A1TSHRNPSR1MEN1
SCHEMBL13337665 0.74 MEN1 (0.55) KCNN4ALDH1A1GAANPSR1MEN1
SCHEMBL28906596 0.74 MEN1 (0.55) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL13337684 0.71 CYP3A4 (0.44) MEN1KMT2A
SCHEMBL13337644 0.70 PTPN1 (0.42) ALDH1A1TSHRPTPN1SMN1; SMN2
SCHEMBL13337686 0.70 KCNN4 (0.42) KCNN4ALDH1A1MEN1KMT2APTPN1
SCHEMBL9371537 0.69 KIF11 (0.47) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL13337642 0.69 MEN1 (0.49) MEN1KMT2A

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-7709465-B2 Phosphorous containing compounds including triphenylmethylphosphonate esters for the treatment of melanoma and other cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-04 US disclosed
US-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-01 US disclosed
WO-2007137200-A2 PHOSPHOROUS CONTAINING COMPOUNDS INCLUDING TRIPHENYLMETHYLPHOSPHONATE ESTERS FOR THE TREATMENT OF MELANOMA AND OTHER CANCERS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-11-29 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 (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-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers PHOSPHO1, MCL1, MTMR1 MMP1 3759/4885MMP2 2485/4885MMP9 2395/4885

“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.