SCHEMBL6898166

SCHEMBL6898166

CC(CO)(CO)C(=O)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
EPHX1 P07099 2/20 0.46
NAAA Q02083 2/20 0.42
HTT P42858 3/20 0.41
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CHRM3 P20309 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL889761 0.91 EPHX1 (0.46) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL14725806 0.85 EPHX1 (0.50) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL28439665 0.83 CYP19A1 (0.35) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL11957261 0.81 EPHX1 (0.38) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL4673658 0.80 CYP19A1 (0.50) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL2182130 0.79 CYP19A1 (0.53) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL28317353 0.79 CYP19A1 (0.53) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL21677330 0.79 NAAA (0.45) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL1164339 0.78 CYP19A1 (0.41) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL4679066 0.78 CYP19A1 (0.51) CYP19A1EPHX1NAAAHTTCYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008318-B2 39-desmethoxy derivatives of rapamycin BIOTICA TECHNOLOGY LIMITED (GB) 2011-08-30 US disclosed
WO-2011051960-A2 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2011-05-05 WO disclosed
US-20100081682-A1 39-Desmethoxy Derivatives of Rapamycin BIOTICA TECHNOLOGY LIMITED (GB) 2010-04-01 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-20100081682-A1 39-Desmethoxy Derivatives of Rapamycin RICTOR, MTOR, MALT1 CYP19A1 828/4885EPHX1 3598/4885NAAA 4036/4885

“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.