SCHEMBL13738792

SCHEMBL13738792

CCC1CCC(=O)C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
CYP19A1 P11511 14/20 0.32

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
SCHEMBL15095766 0.87 CYP19A1 (0.31) MAPTCYP19A1
SCHEMBL6751620 0.78 CYP19A1 (0.31) CYP19A1
SCHEMBL15658513 0.76 CYP19A1 (0.31) CYP19A1
SCHEMBL6751617 0.72 DDB1 (0.30)
SCHEMBL2249960 0.71
SCHEMBL2255651 0.71
SCHEMBL2255655 0.71
SCHEMBL2247455 0.71
SCHEMBL2247449 0.71
SCHEMBL23645791 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009508-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates NATIONAL SCIENCE FOUNDATION 2021-01-14 US disclosed
US-10752577-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-08-25 US disclosed
US-20190315676-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-10-17 US disclosed
US-10239824-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-03-26 US disclosed
US-20170158614-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES NATIONAL SCIENCE FOUNDATION 2017-06-08 US disclosed
US-9388131-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-12 US disclosed
US-20150329567-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-11-19 US disclosed
US-9012658-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-21 US disclosed
WO-2012149182-A2 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-11-01 WO 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 (6 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-20150329567-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates BTD, POLL, POLR1A MAPT 2149/4885CYP19A1 184/4885
US-10752577-B2 Automated synthesis of small molecules using chiral, non-racemic boronates BTD, POLL, POLR1A MAPT 2149/4885CYP19A1 184/4885
US-20170158614-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES BTD, POLL, POLR1A MAPT 2149/4885CYP19A1 184/4885
US-20190315676-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES BTD, POLL, POLR1A MAPT 2149/4885CYP19A1 184/4885
US-10239824-B2 Automated synthesis of small molecules using chiral, non-racemic boronates BTD, POLL, POLR1A MAPT 2149/4885CYP19A1 184/4885
US-20210009508-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates BTD, POLL, POLR1A MAPT 2149/4885CYP19A1 184/4885

“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.