SCHEMBL4172471

SCHEMBL4172471

CCC(C)OP(=O)(O)COc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
FPR2 P25090 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA2 P00918 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAOB P27338 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9055592 0.85 CYP2C9 (0.54) MAPTCYP2C9CYP2C19
SCHEMBL3187016 0.83 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4169306 0.83 MAPT (0.48) ALDH1A1MAPTPOLBMAOB
SCHEMBL5198822 0.82 NPSR1 (0.39) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL8727337 0.81 TAAR1 (0.41) MAOBADRB2ADRB3
SCHEMBL1334895 0.79 FPR2 (0.38) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4156218 0.76 CHRNB2 (0.41) CYP2C9CYP2C19MAPK1ADRB2ADRB3
SCHEMBL4167588 0.76 FDPS (0.44) SMN1; SMN2TDP1MEN1KMT2APOLB
SCHEMBL11648928 0.75 MEN1 (0.39) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11304243 0.71 MMP1 (0.36) CA2MMP2MMP8CA9

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 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 (2 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES KDM4E 4225/4885ALDH1A1 3467/4885SMN1; SMN2 4186/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES KDM4E 4225/4885ALDH1A1 3467/4885SMN1; SMN2 4186/4885

“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.