SCHEMBL616042

SCHEMBL616042

CCOCCN(C)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
CARM1 Q86X55 1/20 0.56
PRMT6 Q96LA8 1/20 0.56
PRMT8 Q9NR22 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
ACHE P22303 2/20 0.48
ATM Q13315 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
SCHEMBL17398952 0.96 TSHR (0.68) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL19715501 0.87 TSHR (0.61) TSHRCARM1PRMT6PRMT8SMN1; SMN2
Hydrochloric Acid SCHEMBL19715538 0.86 TSHR (0.59) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL11978894 0.83 ALDH1A1 (0.47) TSHRGAAALDH1A1ACHE
SCHEMBL9302526 0.82 CARM1 (0.68) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL14376704 0.82 PYCR1 (0.49) TSHRHTR1DHTR1BALDH1A1
SCHEMBL17193571 0.82 TSHR (0.59) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL9760037 0.82 TSHR (0.56) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL615516 0.81 TSHR (0.65) TSHRCARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL7919445 0.81 TSHR (0.58) TSHRCARM1PRMT6PRMT8SMN1; SMN2

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-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US disclosed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 EP 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 (2 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-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY TSHR 3783/4885CARM1 2193/4885PRMT6 3463/4885
US-20090023927-A1 Process for producing tricyclic ketone TKT, DCK, COASY TSHR 3783/4885CARM1 2193/4885PRMT6 3463/4885

“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.