SCHEMBL17694332

SCHEMBL17694332

CCCCCc1ccc2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7cc(CCCCC)ccc7c6)cc5F)c5nsnc45)c(F)c3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.43
▸ RARA P10276 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ TLR8 Q9NR97 6/20 0.36
▸ GCGR P47871 2/20 0.35
▸ BDKRB2 P30411 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ PSMB5 P28074 1/20 0.34

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
SCHEMBL16265324 0.90 RARB (0.52) RARBRARARARGKDM4ERAB9A
SCHEMBL17694335 0.89 RARB (0.48) RARBRARARARGGCGRKDM4E
SCHEMBL17694326 0.87 BDKRB2 (0.40) RARBTLR8BDKRB2KDM4ERAB9A
SCHEMBL18418545 0.84 RARB (0.53) RARBRARARARGGCGRKDM4E
SCHEMBL17694342 0.83 RARB (0.44) RARBRARARARGKDM4ERAB9A
SCHEMBL17696654 0.82 RARA (0.40) RARBRARARAB9A
SCHEMBL3172288 0.81 RARB (0.50) RARBRARARARGTLR8GCGR
SCHEMBL6059466 0.81 RARB (0.50) RARBRARARARGTLR8GPR3
SCHEMBL3161320 0.81 RARB (0.53) RARBRARARARGGCGRGPR3
SCHEMBL3166377 0.80 RARB (0.52) RARBRARARARGTLR8GPR3

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 RARB 172/4885RARA 175/4885RARG 198/4885

“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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