SCHEMBL4187674

SCHEMBL4187674

C=C(C)C(=O)NC(CCC)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.41
TGFBR1 P36897 1/20 0.41
METAP1 P53582 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 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
SCHEMBL6103610 0.90 FDPS (0.44) FDPSTGFBR1
SCHEMBL4184803 0.87 FDPS (0.47) FDPS
SCHEMBL1409013 0.85 TGFBR1 (0.43) FDPSTGFBR1CA12CA1CA2
SCHEMBL2552690 0.79 TGFBR1 (0.39) FDPSTGFBR1METAP1TAS1R3TAS1R1
SCHEMBL15032661 0.76 TGFBR1 (0.42) TGFBR1CA12CA1CA2MMP1
SCHEMBL337892 0.75 TSHR (0.44) FDPSMETAP1TAS1R3TAS1R1CA12
SCHEMBL1826412 0.75 TGFBR1 (0.47) TGFBR1TAS1R3TAS1R1
SCHEMBL976101 0.75 TGFBR1 (0.42) TGFBR1CA12CA1CA2MMP1
SCHEMBL10909470 0.75 TGFBR1 (0.47) TGFBR1TAS1R3TAS1R1
SCHEMBL28829839 0.74 TGFBR1 (0.43) TGFBR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835675-B2 Polymerizable phosphonic acid derivative and adhesive composition comprising the same KABUSHIKI KAISHA SHOFU (JP) 2014-09-16 US disclosed
US-20090048426-A1 POLYMERIZABLE PHOSPHONIC ACID DERIVATIVE AND ADHESIVE COMPOSITION COMPRISING THE SAME KABUSHIKI KAISHA SHOFU (JP) 2009-02-19 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-20090048426-A1 POLYMERIZABLE PHOSPHONIC ACID DERIVATIVE AND ADHESIVE COMPOSITION COMPRISING THE SAME PTK2, ITGA1, ACTN1 FDPS 2479/4885TGFBR1 1552/4885METAP1 490/4885

“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.