SCHEMBL16250089

SCHEMBL16250089

Clc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccc3c(oc4ccccc43)c1-2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.46
ALOX5 P09917 2/20 0.39
PGR P06401 1/20 0.38
PDK2 Q15119 3/20 0.37
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
MAOA P21397 1/20 0.33
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
TNKS O95271 1/20 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
SCHEMBL18156820 1.00 AHR (0.46) AHRALOX5PGRPDK2AKR1A1
SCHEMBL18732153 0.99 AHR (0.44) AHRALOX5PGRPDK2AKR1A1
SCHEMBL20123159 0.93 AHR (0.40) AHRALOX5PGRPDK2AKR1A1
SCHEMBL17879500 0.93 AHR (0.40) AHRALOX5PGRPDK2AKR1A1
SCHEMBL20123160 0.93 AHR (0.40) AHRALOX5PGRPDK2AKR1A1
SCHEMBL17879498 0.92 AHR (0.39) AHRALOX5PGRPDK2PIM1
SCHEMBL17879502 0.92 AHR (0.39) AHRALOX5PGRPDK2AKR1A1
SCHEMBL18731708 0.91 AHR (0.47) AHRALOX5PGRPDK2MAOA
SCHEMBL16491900 0.91 AHR (0.40) AHRALOX5PGRPDK2AKR1A1
SCHEMBL17879496 0.91 AHR (0.40) AHRALOX5PGRPDK2

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 22 patents — showing the first 20. 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
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
WO-2015090504-A2 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2015-06-25 WO disclosed
WO-2015022051-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-02-19 WO disclosed
WO-2014185751-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-11-20 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 (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 1148/4885ALOX5 3721/4885PGR 1584/4885
US-10665790-B2 Materials for electronic devices SDHB, SDHA, ETFB AHR 2826/4885ALOX5 3759/4885PGR 1717/4885
US-11545634-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 AHR 1148/4885ALOX5 3721/4885PGR 1584/4885
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 AHR 1148/4885ALOX5 3721/4885PGR 1584/4885
US-20160190466-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB AHR 2826/4885ALOX5 3759/4885PGR 1717/4885
US-20170301865-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB AHR 2826/4885ALOX5 3759/4885PGR 1717/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 AHR 1148/4885ALOX5 3721/4885PGR 1584/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 AHR 1148/4885ALOX5 3721/4885PGR 1584/4885

“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.