SCHEMBL17694349

SCHEMBL17694349

CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CCCCC)cc5)cc4F)c4snnc34)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 10/20 0.47
▸ RARA P10276 2/20 0.47
▸ RARG P13631 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HSD11B1 P28845 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ LPL P06858 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 0.82 RARB (0.52) RARBRARARARGKDM4ERAB9A
SCHEMBL20806073 0.80 PDE3B (0.34) KDM4ERAB9AALDH1A1MAPTKMT2A
SCHEMBL14175167 0.78 RARB (0.66) RARBRARARARGKDM4EHSD17B10
SCHEMBL13310852 0.77 RARB (0.68) RARBRARARARGKDM4ERAB9A
SCHEMBL14175164 0.77 RARB (0.64) RARBRARARARGKDM4EHSD17B10
SCHEMBL9563730 0.77 RARB (0.68) RARBRARARARGKDM4ERAB9A
SCHEMBL14175166 0.77 RARB (0.64) RARBRARARARGKDM4EHSD17B10
SCHEMBL21134107 0.76 DHODH (0.40) KDM4ERAB9AMEN1ALDH1A1MAPT
SCHEMBL21134106 0.76 DHODH (0.40) KDM4ERAB9AMEN1ALDH1A1MAPT
SCHEMBL10693472 0.76 RARB (0.63) RARBRARARARGKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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