SCHEMBL16656747

SCHEMBL16656747

CCCCO[C@H]1CCCC1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
GBA1 P04062 2/20 0.35
PPP5C P53041 1/20 0.35
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
OPRM1 P35372 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 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
SCHEMBL18102782 1.00 SMN1; SMN2 (0.35) SMN1; SMN2GBA1PPP5CTSHRCYP1A2
SCHEMBL17266376 1.00 SMN1; SMN2 (0.35) SMN1; SMN2GBA1PPP5CTSHRCYP1A2
SCHEMBL14017758 1.00 SMN1; SMN2 (0.35) SMN1; SMN2GBA1PPP5CTSHRCYP1A2
SCHEMBL10151543 0.96 CYP1A2 (0.35) SMN1; SMN2GBA1PPP5CTSHRCYP1A2
SCHEMBL10160046 0.96 CYP1A2 (0.35) SMN1; SMN2GBA1PPP5CTSHRCYP1A2
SCHEMBL14018563 0.96 CYP1A2 (0.35) SMN1; SMN2GBA1PPP5CTSHRCYP1A2
SCHEMBL20995941 0.87 SMN1; SMN2 (0.40) SMN1; SMN2GBA1PPP5CTSHRCYP1A2
SCHEMBL10304571 0.85 GBA1 (0.41) SMN1; SMN2GBA1PPP5CTSHR
SCHEMBL15033397 0.83 CYP19A1 (0.33) CYP1A2
SCHEMBL15424813 0.83 CYP19A1 (0.33) CYP1A2

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-20170158614-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES NATIONAL SCIENCE FOUNDATION 2017-06-08 US disclosed
US-20160280721-A1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2016-09-29 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

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-20150329567-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates BTD, POLL, POLR1A SMN1; SMN2 2506/4885GBA1 480/4885PPP5C 1954/4885
US-20160280721-A1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS BOLA2; BOLA2B, BLVRB, CD79B SMN1; SMN2 2676/4885GBA1 1808/4885PPP5C 4356/4885
US-20170158614-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES BTD, POLL, POLR1A SMN1; SMN2 2506/4885GBA1 480/4885PPP5C 1954/4885

“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.