SCHEMBL13337653

SCHEMBL13337653

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
NPC1 O15118 1/20 0.37
PTPN1 P18031 2/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TSHR P16473 4/20 0.32
ATM Q13315 1/20 0.32
KCNN4 O15554 1/20 0.32
MAPT P10636 1/20 0.31
RECQL P46063 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
SCHEMBL13337669 0.83 CA12 (0.38) CA12CA1CA2CA4CA5A
SCHEMBL13337643 0.79 MMP1 (0.34) PTPN1ALDH1A1TSHRKCNN4
SCHEMBL13337650 0.76 NPSR1 (0.48) ACHEALDH1A1TSHRKCNN4
SCHEMBL13337665 0.73 MEN1 (0.55) CA2ALDH1A1KCNN4
SCHEMBL13337644 0.73 PTPN1 (0.42) CA1CA2CA5ACA9PTPN1
SCHEMBL28661245 0.72 MEN1 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL11348721 0.72 CA2 (0.60) CA12CA1CA2CA4CA5A
SCHEMBL13337684 0.70 CYP3A4 (0.44)
SCHEMBL7067972 0.69 CA2 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL28459607 0.69 CA12 (0.50) CA12CA1CA2CA4CA5A

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-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-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
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 CA12 1358/4885CA1 809/4885CA2 1256/4885

“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.