SCHEMBL17879495

SCHEMBL17879495

Brc1ccc2c(c1)-c1cc(Br)ccc1C21c2ccccc2-c2c1ccc1c2oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
PGR P06401 1/20 0.36
NMUR2 Q9GZQ4 2/20 0.36
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
EGFR P00533 1/20 0.34
DYRK1A Q13627 1/20 0.33
AHR P35869 3/20 0.33
TNKS O95271 1/20 0.33
GGPS1 O95749 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 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
SCHEMBL16491813 0.99 ALOX5 (0.39) ALOX5PGRNMUR2KDM4EMEN1
SCHEMBL19395183 0.97 ALOX5 (0.39) ALOX5PGRNMUR2KDM4EMEN1
SCHEMBL16232653 0.93 ALOX5 (0.39) ALOX5PGRNMUR2KDM4EMEN1
SCHEMBL15990196 0.93 ALOX5 (0.39) ALOX5PGRNMUR2KDM4EMEN1
SCHEMBL19395175 0.91 ALOX5 (0.38) ALOX5PGRNMUR2EGFRAHR
SCHEMBL19395173 0.91 ALOX5 (0.38) ALOX5PGRNMUR2EGFRAHR
SCHEMBL19862375 0.89 ALOX5 (0.34) ALOX5PGRNMUR2PIM1CSNK2A2
SCHEMBL19862374 0.88 ALOX5 (0.33) ALOX5PGRNMUR2PIM1CSNK2A2
SCHEMBL16491718 0.88 GABRP (0.38) ALDH1A1MAPTHPGDGABRPGABRD
SCHEMBL16491702 0.88 PGR (0.42) ALOX5PGRKDM4EMEN1ALDH1A1

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 ALOX5 3721/4885PGR 1584/4885NMUR2 1630/4885
US-10665790-B2 Materials for electronic devices SDHB, SDHA, ETFB ALOX5 3759/4885PGR 1717/4885NMUR2 2954/4885
US-11545634-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 ALOX5 3721/4885PGR 1584/4885NMUR2 1630/4885
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 ALOX5 3721/4885PGR 1584/4885NMUR2 1630/4885
US-20160190466-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB ALOX5 3759/4885PGR 1717/4885NMUR2 2954/4885
US-20170301865-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB ALOX5 3759/4885PGR 1717/4885NMUR2 2954/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 ALOX5 3721/4885PGR 1584/4885NMUR2 1630/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 ALOX5 3721/4885PGR 1584/4885NMUR2 1630/4885

“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.