SCHEMBL618190

SCHEMBL618190

CC(=O)OC1C=CC(=O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.36
CYP19A1 P11511 5/20 0.34
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL9414132 0.89 NLRP3 (0.38) NLRP3CYP19A1NFKB1NFKB2RELA
SCHEMBL6439354 0.78 NFKB1 (0.49) NLRP3CYP19A1NFKB1NFKB2RELA
SCHEMBL2816076 0.78 NFKB1 (0.49) NLRP3CYP19A1NFKB1NFKB2RELA
SCHEMBL2816078 0.78 NFKB1 (0.49) NLRP3CYP19A1NFKB1NFKB2RELA
SCHEMBL2541139 0.77 CA12 (0.40) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL2541143 0.77 CA12 (0.40) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11414567 0.75 CA12 (0.41) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11414562 0.75 CA12 (0.41) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11583404 0.73 CYP19A1 (0.39) CYP19A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL8354298 0.72 CA12 (0.42) CYP19A1CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907762-B2 Stabilized mutant opsin proteins UNIVERSITY OF WASHINGTON (US) 2018-03-06 US disclosed
US-20160045453-A1 STABILIZED MUTANT OPSIN PROTEINS UNIV WASHINGTON (US) 2016-02-18 US disclosed
US-9149446-B2 Stabilized mutant opsin proteins UNIVERSITY OF WASHINGTON (US) 2015-10-06 US disclosed
US-20130072443-A1 STABILIZED MUTANT OPSIN PROTEINS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-03-21 US disclosed
US-20120041073-A1 STABILIZED MUTANT OPSIN PROTEINS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-02-16 US disclosed
US-20040242704-A1 Stabilized mutant opsin proteins UNIVERSITY OF WASHINGTON, TECHTRANSFER - INVENTION LICENSING 2004-12-02 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 (4 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-20040242704-A1 Stabilized mutant opsin proteins NR2E3, CRYZ, RBP1 NLRP3 4589/4885CYP19A1 4436/4885NFKB1 4193/4885
US-20160045453-A1 STABILIZED MUTANT OPSIN PROTEINS NR2E3, RBP1, CRYZ NLRP3 4534/4885CYP19A1 4426/4885NFKB1 4563/4885
US-20120041073-A1 STABILIZED MUTANT OPSIN PROTEINS NR2E3, CRYZ, RBP1 NLRP3 4589/4885CYP19A1 4436/4885NFKB1 4193/4885
US-20130072443-A1 STABILIZED MUTANT OPSIN PROTEINS NR2E3, CRYZ, RBP1 NLRP3 4589/4885CYP19A1 4436/4885NFKB1 4193/4885

“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.