SCHEMBL4104286

SCHEMBL4104286

CCC(CC)C(=O)CO[PH](=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL4104285 0.84 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1USP2TSHR
SCHEMBL5836574 0.79
SCHEMBL428739 0.77
SCHEMBL10888446 0.77
SCHEMBL6364749 0.73 CA2 (0.38) SLC1A3SLC1A2SLC1A1USP2TSHR
SCHEMBL9160867 0.71 CA1 (0.40) TSHRCA2CA1MAPK1
Ethyl Hydrogen Phosphonate SCHEMBL31436368 0.70 ALDH1A1 (0.33)
Ethyl Hydrogen Phosphonate SCHEMBL31684345 0.70
SCHEMBL11293242 0.70
SCHEMBL10644887 0.70 MAPT (0.42) TSHRCA2CA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
US-7112692-B2 β-ketophosphonates RHODIA CONSUMER SPECIALTIES, LIMITED (GB) 2006-09-26 US disclosed
EP-1430065-B1 BETA-KETOPHOSPHONATES RHODIA CONS SPEC LTD (GB) 2005-02-02 EP disclosed
US-20040267040-A1 Beta-ketophosphonates RHODIA CONSUMER SPECIALITIES LIMITED (GB) 2004-12-30 US disclosed
EP-1430065-A1 BETA-KETOPHOSPHONATES RHODIA CONSUMER SPECIALTIES LIMITED (GB) 2004-06-23 EP disclosed
WO-2003027129-A1 BETA-KETOPHOSPHONATES RHODIA CONSUMER SPECIALTIES LIMITED (GB) 2003-04-03 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 SLC1A3 335/4885SLC1A2 751/4885SLC1A1 364/4885

“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.