SCHEMBL17694326

SCHEMBL17694326

CCCCCc1ccc2cc(-c3ccc(-c4ccc5cc(CCCCC)ccc5c4)c4nsnc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GPR3 P46089 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ TLR8 Q9NR97 6/20 0.38
▸ RARB P10826 2/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37

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
SCHEMBL17694332 0.87 RARB (0.43) BDKRB2RAB9AKDM4EGPR3PSMB5
SCHEMBL17694336 0.84 KDM4E (0.48) RAB9AKDM4ERARBS1PR1S1PR3
SCHEMBL18462373 0.83 RARB (0.38) RAB9AKDM4EGPR3PSMB5TLR8
SCHEMBL18418545 0.82 RARB (0.53) RAB9AKDM4EGPR3RARBS1PR1
SCHEMBL12696163 0.81 HSD11B1 (0.44) RAB9AKDM4EPSMB5RARBS1PR1
SCHEMBL17694335 0.80 RARB (0.48) RAB9AKDM4EGPR3RARBS1PR1
SCHEMBL6294017 0.78 PTGS2 (0.50) BDKRB2KDM4ERARBMAPT
SCHEMBL17694325 0.78 PTPN11 (0.45) RARB
SCHEMBL22238940 0.77 SKP2 (0.36) RAB9AKDM4EGPR3PSMB5RARB
SCHEMBL6563401 0.76 BDKRB2 (0.55) BDKRB2KDM4ETLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — US disclosed
US-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND MERCK PATENT GMBH (DE) 2016-04-21 — — 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 (1 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-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND CRY1, SLC25A1, CRY2 BDKRB2 1519/4885RAB9A 1322/4885KDM4E 2034/4885

“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.

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