SCHEMBL13536784

SCHEMBL13536784

CP(C)(=O)CCOc1cccc(-c2ccc(C=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.51
ERN1 O75460 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
GGPS1 O95749 1/20 0.39
FDFT1 P37268 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
LTA4H P09960 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 3/20 0.38
BACE1 P56817 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL416498 0.83 ERN1 (0.56) DRD1ERN1RXRARXRBFDFT1
SCHEMBL13618270 0.82 DRD1 (0.55) DRD1ERN1RXRARXRBALDH1A1
SCHEMBL14195860 0.81 DRD1 (0.54) DRD1ERN1RXRARXRBALDH1A1
SCHEMBL17157579 0.80 RXRA (0.61) DRD1RXRARXRBALDH1A1MAPT
SCHEMBL13617907 0.80 TSHR (0.52) DRD1ERN1GGPS1ALDH1A1LMNA
SCHEMBL13617789 0.80 TSHR (0.52) DRD1ERN1GGPS1ALDH1A1LMNA
SCHEMBL2385800 0.77 DRD1 (0.56) DRD1ERN1RXRARXRBMAOA
SCHEMBL2581063 0.75 DRD1 (0.64) DRD1ERN1ALDH1A1MAOB
SCHEMBL16406547 0.73 MAOB (0.72) DRD1ERN1MAOAMAOBFFAR1
SCHEMBL22926134 0.72 DRD1 (0.54) DRD1FFAR4FFAR1BACE1PPARD

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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 DRD1 4697/4885ERN1 317/4885RXRA 4441/4885

“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.