SCHEMBL6956085

SCHEMBL6956085

OCC1Cc2cc(F)c(F)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.38
APLNR P35414 1/20 0.32
TRPM5 Q9NZQ8 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL6959841 0.79 SLC6A4 (0.50) TRPM5ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL16595181 0.76 TRPM5 (0.40) FYNTRPM5SLC6A4CYP19A1CYP11B2
SCHEMBL21916247 0.76 FYN (0.42) FYNADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6953435 0.76 FYN (0.42) FYNCYP19A1CYP11B2
SCHEMBL23856716 0.74 DYRK1A (0.36) FYNTRPM5CYP19A1CYP11B2
SCHEMBL29203082 0.73
SCHEMBL6958835 0.72 FYN (0.33) FYN
SCHEMBL6954947 0.71 DRD2 (0.46) TRPM5CYP19A1
SCHEMBL16595259 0.71 FYN (0.34) FYNCYP19A1CYP11B2
SCHEMBL3149281 0.71 ALDH1A1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674507-B2 Pyran-dioxane derivatives, and the use thereof in liquid-crystalline media MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
US-7674507-B2 Pyran-dioxane derivatives, and the use thereof in liquid-crystalline media MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
US-20080193682-A1 Pyran-Dioxane Derivatives, and the Use Thereof in Liquid-Crystalline Media MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080193682-A1 Pyran-Dioxane Derivatives, and the Use Thereof in Liquid-Crystalline Media MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
WO-2008034511-A1 INDANE COMPOUNDS FOR USE AS COMPONENTS OF LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2008-03-27 WO disclosed
EP-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed
EP-1010693-A1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP 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-20080193682-A1 Pyran-Dioxane Derivatives, and the Use Thereof in Liquid-Crystalline Media PYCARD, NLRP3, NLRP1 FYN 168/4885APLNR 1450/4885TRPM5 253/4885

“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.