SCHEMBL17879498

SCHEMBL17879498

Clc1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4)cc31)c1ccc3c(oc4ccccc43)c1-2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.39
PDK2 Q15119 6/20 0.37
ALOX5 P09917 2/20 0.36
PGR P06401 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TNKS O95271 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 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
SCHEMBL17879497 0.97 AHR (0.42) AHRPDK2ALOX5PGRPIM1
SCHEMBL18156820 0.92 AHR (0.46) AHRPDK2ALOX5PGRPIM1
SCHEMBL16250089 0.92 AHR (0.46) AHRPDK2ALOX5PGRPIM1
SCHEMBL18732153 0.91 AHR (0.44) AHRPDK2ALOX5PGRPIM1
SCHEMBL19669008 0.91 AHR (0.37) AHRPDK2ALOX5PGRCA1
SCHEMBL16491900 0.91 AHR (0.40) AHRPDK2ALOX5PGRCA1
SCHEMBL18925690 0.87 ALOX5 (0.38) PDK2ALOX5PGRCA1CA2
SCHEMBL20224275 0.87 PDK2 (0.41) PDK2ALOX5PGRPIM1CSNK2A2
SCHEMBL17879507 0.87 AHR (0.44) AHRPDK2ALOX5PGRCA1
SCHEMBL17879500 0.86 AHR (0.40) AHRPDK2ALOX5PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-11545634-B2 Heterocyclic spiro compounds MERCK PATENT GMBH (DE) 2023-01-03 US disclosed
EP-3708634-A1 HETEROCYCLIC SPIRO COMPOUNDS Merck Patent GmbH (DE) 2020-09-16 EP disclosed
US-10777750-B2 Heterocyclic spiro compounds BASF SE (DE) 2020-09-15 US disclosed
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2020-08-20 US disclosed
US-10665790-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-05-26 US disclosed
EP-3083880-B1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
US-9978950-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-05-22 US disclosed
US-9978950-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-05-22 US disclosed
EP-3033405-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-09 EP disclosed
US-9837617-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837617-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20170301865-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-10-19 US disclosed
US-20170301865-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-10-19 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20160190466-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-20160190466-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-30 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 (8 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-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 AHR 1148/4885PDK2 264/4885ALOX5 3721/4885
US-10665790-B2 Materials for electronic devices SDHB, SDHA, ETFB AHR 2826/4885PDK2 178/4885ALOX5 3759/4885
US-11545634-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 AHR 1148/4885PDK2 264/4885ALOX5 3721/4885
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 AHR 1148/4885PDK2 264/4885ALOX5 3721/4885
US-20160190466-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB AHR 2826/4885PDK2 178/4885ALOX5 3759/4885
US-20170301865-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB AHR 2826/4885PDK2 178/4885ALOX5 3759/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 AHR 1148/4885PDK2 264/4885ALOX5 3721/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 AHR 1148/4885PDK2 264/4885ALOX5 3721/4885

“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.