SCHEMBL9895036

SCHEMBL9895036

CC(C)COC(C)ONC(=O)C=Cc1ccc(CNC(C)(C)C(=O)OC2CCC(C)C2)cn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
LNPEP Q9UIQ6 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
SCHEMBL7899904 1.00 CYP19A1 (0.32) CYP19A1LNPEP
SCHEMBL7898598 0.84 CYP19A1 (0.37) CYP19A1
SCHEMBL9895336 0.84 CYP19A1 (0.37) CYP19A1
SCHEMBL7897833 0.84 LY96 (0.31)
SCHEMBL9896765 0.83 KDM4E (0.32)
SCHEMBL9896770 0.83 KDM4E (0.32)
Trifluoroacetic Acid SCHEMBL9895577 0.80 HDAC1 (0.35) CYP19A1
SCHEMBL7899126 0.73 MAP3K7 (0.30)
SCHEMBL9895415 0.73 MAP3K7 (0.30)
SCHEMBL15379854 0.73 SMN1; SMN2 (0.38)

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-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 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 (3 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 CYP19A1 387/4885LNPEP 645/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 CYP19A1 577/4885LNPEP 1567/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 CYP19A1 534/4885LNPEP 644/4885

“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.