SCHEMBL16121069

SCHEMBL16121069

O=C(O)C1CCCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
TAAR1 Q96RJ0 2/20 0.52
FABP7 O15540 1/20 0.51
FABP5 Q01469 1/20 0.51
TSHR P16473 1/20 0.51
FKBP1A P62942 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL10917139 1.00 RAB9A (0.54) RAB9ATAAR1FABP7FABP5TSHR
SCHEMBL16117454 1.00 RAB9A (0.54) RAB9ATAAR1FABP7FABP5TSHR
SCHEMBL7897964 1.00 RAB9A (0.54) RAB9ATAAR1FABP7FABP5TSHR
SCHEMBL7897961 1.00 RAB9A (0.54) RAB9ATAAR1FABP7FABP5TSHR
SCHEMBL595759 0.97 TSHR (0.55) RAB9ATAAR1FABP7FABP5TSHR
SCHEMBL14324086 0.97 TSHR (0.55) RAB9ATAAR1FABP7FABP5TSHR
SCHEMBL595790 0.97 TSHR (0.55) RAB9ATAAR1FABP7FABP5TSHR
SCHEMBL596126 0.97 TSHR (0.55) RAB9ATAAR1FABP7FABP5TSHR
SCHEMBL13849249 0.97 TSHR (0.55) RAB9ATAAR1FABP7FABP5TSHR
SCHEMBL16347238 0.95 TSHR (0.55) RAB9AFABP7FABP5TSHRFKBP1A

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-9102660-B2 Process of making prostacyclin compounds with linker thiol and pegylated forms United Therapeutics Corporaiton (US) 2015-08-11 US disclosed
US-20140288314-A1 PROCESS OF MAKING PROSTACYCLIN COMPOUNDS WITH LINKER THIOL AND PEGYLATED FORMS UNITED THERAPEUTICS CORPORATION (US) 2014-09-25 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-20140288314-A1 PROCESS OF MAKING PROSTACYCLIN COMPOUNDS WITH LINKER THIOL AND PEGYLATED FORMS PTGIS, PTGIR, PTGER1 RAB9A 3432/4885TAAR1 411/4885FABP7 1567/4885

“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.