SCHEMBL17879496

SCHEMBL17879496

Clc1ccc2c(c1)C1(c3ccccc3-c3c(Br)cccc31)c1ccc3c(oc4ccccc43)c1-2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.40
ALOX5 P09917 2/20 0.37
PDK2 Q15119 3/20 0.36
PGR P06401 1/20 0.34
IDO1 P14902 2/20 0.32
PRKDC P78527 1/20 0.30
ATM Q13315 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGES O14684 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
SCHEMBL17879503 0.92 AHR (0.39) AHRALOX5PDK2PGRIDO1
SCHEMBL18156820 0.91 AHR (0.46) AHRALOX5PDK2PGR
SCHEMBL16250089 0.91 AHR (0.46) AHRALOX5PDK2PGR
SCHEMBL18732153 0.90 AHR (0.44) AHRALOX5PDK2PGRIDO1
SCHEMBL16491662 0.90 PDK2 (0.40) AHRALOX5PDK2PGRPRKDC
SCHEMBL16491797 0.88 ALOX5 (0.38) AHRALOX5PDK2PGRPRKDC
SCHEMBL16491900 0.87 AHR (0.40) AHRALOX5PDK2PGR
SCHEMBL16491854 0.86 AHR (0.38) AHRPDK2IDO1PTGES
SCHEMBL17879507 0.85 AHR (0.44) AHRALOX5PDK2PGRIDO1
SCHEMBL17879500 0.85 AHR (0.40) AHRALOX5PDK2PGR

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 1148/4885ALOX5 3721/4885PDK2 264/4885
US-10665790-B2 Materials for electronic devices SDHB, SDHA, ETFB AHR 2826/4885ALOX5 3759/4885PDK2 178/4885
US-11545634-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 AHR 1148/4885ALOX5 3721/4885PDK2 264/4885
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 AHR 1148/4885ALOX5 3721/4885PDK2 264/4885
US-20160190466-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB AHR 2826/4885ALOX5 3759/4885PDK2 178/4885
US-20170301865-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB AHR 2826/4885ALOX5 3759/4885PDK2 178/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 AHR 1148/4885ALOX5 3721/4885PDK2 264/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 AHR 1148/4885ALOX5 3721/4885PDK2 264/4885

“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.