SCHEMBL17669771

SCHEMBL17669771

Cc1cc(C)c(CC(CO)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL5696488 0.73 AKT1 (0.36) HRH3
SCHEMBL8407004 0.72 HRH3 (0.36) SLC6A2SLC6A4SLC6A3HRH3CYP11B1
SCHEMBL1995772 0.70 NOS2 (0.47) SLC6A2SLC6A4SLC6A3HRH3CYP11B1
SCHEMBL7814379 0.69 RAPGEF4 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL8388464 0.69 NOS2 (0.42) HRH3CYP11B1CYP11B2
SCHEMBL113792 0.68 NOS2 (0.37) SLC6A2SLC6A4SLC6A3HRH3CYP11B1
SCHEMBL29600917 0.68 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL95192 0.68 HRH3 (0.40) HRH3CYP11B1CYP11B2
SCHEMBL13021414 0.66 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL13021415 0.66 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981878-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2021-04-20 US disclosed
US-10975038-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2021-04-13 US disclosed
US-10919860-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2021-02-16 US disclosed
US-10913723-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2021-02-09 US disclosed
US-20180370920-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2018-12-27 US disclosed
US-10150738-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2018-12-11 US disclosed
US-20180072681-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2018-03-15 US disclosed
US-9828347-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2017-11-28 US disclosed
US-20170247333-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2017-08-31 US disclosed
US-20160102061-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2016-04-14 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 (9 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-20160102061-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES NUDC, NBAS, NDC1 SLC6A2 2558/4885SLC6A4 3138/4885SLC6A3 1226/4885
US-20170247333-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES NUDC, NBAS, NDC1 SLC6A2 2558/4885SLC6A4 3138/4885SLC6A3 1226/4885
US-10975038-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 SLC6A2 2558/4885SLC6A4 3138/4885SLC6A3 1226/4885
US-20180370920-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES NPM1, NOX3, NUDC SLC6A2 1641/4885SLC6A4 2512/4885SLC6A3 264/4885
US-10981878-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 SLC6A2 2558/4885SLC6A4 3138/4885SLC6A3 1226/4885
US-10919860-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 SLC6A2 2558/4885SLC6A4 3138/4885SLC6A3 1226/4885
US-20180072681-A1 BACKFUNCTIONALIZED IMIDAZOLINIUM SALTS AND NHC CARBENE-METAL COMPLEXES NUDC, NBAS, NDC1 SLC6A2 2558/4885SLC6A4 3138/4885SLC6A3 1226/4885
US-10913723-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 SLC6A2 2558/4885SLC6A4 3138/4885SLC6A3 1226/4885
US-10150738-B2 Backfunctionalized imidazolinium salts and NHC carbene-metal complexes NUDC, NBAS, NDC1 SLC6A2 2558/4885SLC6A4 3138/4885SLC6A3 1226/4885

“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.