SCHEMBL10015008

SCHEMBL10015008

CCCC1CC=C(c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)cc3)nc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
DGAT1 O75907 1/20 0.32
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL12254135 0.94 FLT3 (0.35) FLT3TYRO3MERTKGAS6DGAT1
SCHEMBL10014998 0.91 ESR2 (0.34)
SCHEMBL10015006 0.90 FLT3 (0.33) FLT3TYRO3MERTKGAS6DGAT1
SCHEMBL12254134 0.90 FLT3 (0.34) FLT3TYRO3MERTKGAS6
SCHEMBL12254140 0.85 FLT3 (0.35) FLT3TYRO3MERTKGAS6
SCHEMBL17365828 0.83 ESR2 (0.31)
SCHEMBL12254133 0.83 FLT3 (0.32) FLT3TYRO3MERTKGAS6
SCHEMBL19829132 0.82 NPC1 (0.32)
SCHEMBL12254191 0.79
SCHEMBL19829669 0.79 ESR2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137154-B1 PYRIDINE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2015-07-15 EP disclosed
US-8163200-B2 Cyclohexene compounds for liquid-crystalline mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-04-24 US disclosed
US-8163200-B2 Cyclohexene compounds for liquid-crystalline mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-04-24 US disclosed
US-8012547-B2 Pyridine compounds for liquid-crystalline mixtures MERCH PATENT GMBH (DE) 2011-09-06 US disclosed
US-8012547-B2 Pyridine compounds for liquid-crystalline mixtures MERCH PATENT GMBH (DE) 2011-09-06 US disclosed
EP-2052055-B1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2011-07-06 EP disclosed
US-20100237285-A1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GESELLSCHAFT (DE) 2010-09-23 US disclosed
US-20100237285-A1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GESELLSCHAFT (DE) 2010-09-23 US disclosed
US-20100127212-A1 PYRIDINE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-27 US disclosed
US-20100127212-A1 PYRIDINE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-27 US disclosed
WO-2008128622-A2 PYRIDINE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2008-10-30 WO disclosed
WO-2008019743-A1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2008-02-21 WO 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 (2 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-20100237285-A1 CYCLOHEXENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES C1S, CHRM1, C1R FLT3 4577/4885TYRO3 4759/4885MERTK 4762/4885
US-20100127212-A1 PYRIDINE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES CHRM1, CHRM2, CHRM4 FLT3 2683/4885TYRO3 3856/4885MERTK 4454/4885

“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.