SCHEMBL4241116

SCHEMBL4241116

CC(C)OC(=O)C1C2C=CC(C2C)C1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
TSHR P16473 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
ITGA5 P08648 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30

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
SCHEMBL3361604 0.93 TSHR (0.36) TSHRCHRNA1CHRNGITGA5CHRNB1
SCHEMBL15645296 0.91 POLB (0.42) POLBTDP1CTDSP1KMT2ATSHR
SCHEMBL17332189 0.81 POLB (0.43) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL3278963 0.80 POLB (0.55) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL27746022 0.79 TSHR (0.37) POLBTDP1CTDSP1KMT2AGRM2
SCHEMBL29259887 0.76 TSHR (0.42) POLBTDP1CTDSP1TSHRCHRNA1
SCHEMBL1194506 0.72 POLB (0.46) POLBTDP1CTDSP1TSHRCHRNA1
SCHEMBL31276060 0.72 SMN1; SMN2 (0.35) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL6737476 0.72 POLB (0.50) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL19285910 0.72 POLB (0.50) POLBTDP1CTDSP1GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069503-A1 SULFUR-CONTAINING CYCLIC OLEFIN RESIN AND ITS PRODUCTION METHOD TOSOH CORPORATION (JP) 2009-03-12 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-20090069503-A1 SULFUR-CONTAINING CYCLIC OLEFIN RESIN AND ITS PRODUCTION METHOD ACSL3, ACSL1, RPS27L POLB 3388/4885TDP1 4525/4885CTDSP1 1819/4885

“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.