SCHEMBL5491990

SCHEMBL5491990

CCCCCC(OCCCO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
SLC7A5 Q01650 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
CSNK1E P49674 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR88 Q9GZN0 1/20 0.36
NAAA Q02083 2/20 0.36
POLB P06746 1/20 0.36
CNR2 P34972 1/20 0.36
TRPA1 O75762 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL19511867 0.92 GPR88 (0.41) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042427 0.90 LTA4H (0.43) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042230 0.90 SLC7A5 (0.44) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28042424 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNASLC7A5
SCHEMBL28042428 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNASLC7A5
SCHEMBL28106834 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNASLC7A5
SCHEMBL28042430 0.89 SLC7A5 (0.43) CASRNPC1RAB9ASMN1; SMN2SLC7A5
SCHEMBL28042426 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNASLC7A5
SCHEMBL28042226 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNASLC7A5
SCHEMBL28042470 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNASLC7A5

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-7303739-B2 Prodrugs for liver specific drug delivery METABASIS THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2005-05-12 US disclosed
US-6752981-B1 CYCLIC PHOSPH(ORAMID)ATE PRODRUGS HAVING ALCOHOL, AMINE, ORTHIOL GROUPS ATTACHED TO THE PHOSPHORUS IN THE C3N2P OR C3O2P RING METABASIS THERAPEUTICS, INC. 2004-06-22 US disclosed
EP-1210354-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY Metabasis Therapeutics, Inc. (US) 2002-06-05 EP disclosed
WO-2001018013-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY METABASIS THERAPEUTICS, INC. (US) 2001-03-15 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-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging PYGL, PHOSPHO1, OAT CASR 2120/4885NPC1 913/4885RAB9A 4780/4885

“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.