SCHEMBL13531027

SCHEMBL13531027

CCCCOc1cc(C(=O)CC)ccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
EGFR P00533 1/20 0.48
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
RARB P10826 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTPN11 Q06124 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4B Q07343 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL4598873 0.85 PTPN11 (0.60) THRATHRBHPGDEGFRRARB
SCHEMBL10871798 0.85 PTPN11 (0.60) THRATHRBHPGDEGFRRARB
SCHEMBL3976207 0.85 PTPN11 (0.60) THRATHRBHPGDEGFRRARB
SCHEMBL8986588 0.85 PTPN11 (0.60) THRATHRBHPGDEGFRRARB
SCHEMBL8769895 0.85 PTPN11 (0.60) THRATHRBHPGDEGFRRARB
SCHEMBL6266857 0.85 PTPN11 (0.60) THRATHRBHPGDEGFRRARB
Hydrochloric Acid SCHEMBL8419150 0.84 PTPN11 (0.58) THRATHRBHPGDEGFRRARB
SCHEMBL3975412 0.82 THRA (0.56) THRATHRBKDM4EHPGDEGFR
SCHEMBL8419148 0.82 THRA (0.56) THRATHRBKDM4EHPGDEGFR
SCHEMBL9306503 0.82 THRA (0.56) THRATHRBKDM4EMAPTHPGD

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 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 (3 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG THRA 4331/4885THRB 4218/4885SMN1; SMN2 3879/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES THRA 3442/4885THRB 3535/4885SMN1; SMN2 4186/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN THRA 2518/4885THRB 2242/4885SMN1; SMN2 3947/4885

“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.