SCHEMBL16491900

SCHEMBL16491900

Clc1ccc2c(c1)C1(c3ccccc3-c3c(-c4ccccc4)cccc31)c1ccc3c(oc4ccccc43)c1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.40
ALOX5 P09917 2/20 0.37
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
PGR P06401 1/20 0.34
CA1 P00915 2/20 0.33

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
SCHEMBL17879507 0.92 AHR (0.44) AHRALOX5GABRPGABRDGABRA1
SCHEMBL16250089 0.91 AHR (0.46) AHRALOX5PGRTNKSAKR1A1
SCHEMBL18156820 0.91 AHR (0.46) AHRALOX5PGRTNKSAKR1A1
SCHEMBL17879498 0.91 AHR (0.39) AHRALOX5PGRCA1CA2
SCHEMBL18732153 0.90 AHR (0.44) AHRALOX5PGRTNKSAKR1A1
SCHEMBL20687318 0.89 ALOX5 (0.45) AHRALOX5GABRPGABRDGABRA1
SCHEMBL20687324 0.88 ALOX5 (0.43) AHRALOX5GABRPGABRDGABRA1
SCHEMBL17879496 0.87 AHR (0.40) AHRALOX5PGRPDK2
SCHEMBL17879497 0.87 AHR (0.42) AHRALOX5GABRPGABRDGABRA1
SCHEMBL20687304 0.85 ALOX5 (0.46) AHRALOX5PGRGGPS1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10665790-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-05-26 US 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-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-2015022051-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-02-19 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 (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-10665790-B2 Materials for electronic devices SDHB, SDHA, ETFB AHR 2826/4885ALOX5 3759/4885GABRP 3795/4885
US-20160190466-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB AHR 2826/4885ALOX5 3759/4885GABRP 3795/4885
US-20170301865-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB AHR 2826/4885ALOX5 3759/4885GABRP 3795/4885

“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.