SCHEMBL17879492

SCHEMBL17879492

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3oc4ccccc4c3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
MAOA P21397 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GLA P06280 2/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PGAM1 P18669 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5 P09917 2/20 0.36
CDC14B O60729 1/20 0.36
CDC14A Q9UNH5 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL22930708 0.97 KDM4E (0.35) KDM4EMAPTMAOAALDH1A1HPGD
SCHEMBL18156667 0.89 PDK2 (0.40) KDM4EMAPTMAOAALDH1A1HPGD
SCHEMBL19299468 0.88 KDM4E (0.35) KDM4EMAPTMAOAALDH1A1HPGD
SCHEMBL17883218 0.88 PDK2 (0.39) MAOA
SCHEMBL20224548 0.88 PDK2 (0.39) KDM4EMAPTMAOAALDH1A1HPGD
SCHEMBL18732018 0.87 AHR (0.43) MAOAAHR
SCHEMBL20224552 0.87 PDK2 (0.35) KDM4EMAPTMAOAALDH1A1HPGD
SCHEMBL18732011 0.86 AHR (0.39) KDM4EMAPTMAOAALDH1A1HPGD
SCHEMBL18732007 0.85 AHR (0.42) KDM4EMAPTMAOAALDH1A1HPGD
SCHEMBL17930628 0.84 MAOA (0.36) KDM4EMAPTMAOAALDH1A1HPGD

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 18 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-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 KDM4E 4246/4885MAPT 3089/4885MAOA 3085/4885
US-10665790-B2 Materials for electronic devices SDHB, SDHA, ETFB KDM4E 3545/4885MAPT 3702/4885MAOA 1019/4885
US-11545634-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 KDM4E 4246/4885MAPT 3089/4885MAOA 3085/4885
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 KDM4E 4246/4885MAPT 3089/4885MAOA 3085/4885
US-20160190466-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB KDM4E 3545/4885MAPT 3702/4885MAOA 1019/4885
US-20170301865-A1 MATERIALS FOR ELECTRONIC DEVICES SDHB, SDHA, ETFB KDM4E 3545/4885MAPT 3702/4885MAOA 1019/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 KDM4E 4246/4885MAPT 3089/4885MAOA 3085/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 KDM4E 4246/4885MAPT 3089/4885MAOA 3085/4885

“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.