SCHEMBL4856400

SCHEMBL4856400

Cc1ncccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
TOP1 P11387 4/20 0.51
PDE2A O00408 1/20 0.49
PDE10A Q9Y233 1/20 0.49
KIF11 P52732 2/20 0.47
AKT1 P31749 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
PTGS2 P35354 2/20 0.43
SLC22A12 Q96S37 1/20 0.42
SLC11A2 P49281 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
DHODH Q02127 1/20 0.41
KLRK1 P26718 1/20 0.40
MICA Q29983 1/20 0.40
RAET1L Q5VY80 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL17806563 0.84 MKNK1 (0.54) MKNK1MKNK2KIF11AKT1TRPV1
SCHEMBL15730622 0.81 PDE2A (0.49) PDE2APDE10ASLC11A2
SCHEMBL2757253 0.81 MKNK1 (0.59) MKNK1MKNK2TOP1PDE2APDE10A
SCHEMBL7662428 0.79 MKNK1 (0.61) MKNK1MKNK2AKT1PTGS2DHODH
SCHEMBL18104239 0.79 MKNK1 (0.56) MKNK1MKNK2PDE10APTGS2DHODH
SCHEMBL29888283 0.79 MKNK1 (0.54) MKNK1MKNK2TOP1KIF11AKT1
SCHEMBL15730619 0.78 MKNK1 (0.49) MKNK1MKNK2KIF11TRPV1DHODH
SCHEMBL15730173 0.77 MKNK1 (0.59) MKNK1MKNK2TOP1PTGS2DHODH
SCHEMBL2084918 0.77 MKNK1 (0.58) MKNK1MKNK2TOP1AKT1PTGS2
SCHEMBL30563610 0.77 MKNK1 (0.58) MKNK1MKNK2TOP1AKT1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US claimed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 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 (3 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 MKNK1 2362/4885MKNK2 2558/4885TOP1 905/4885
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 MKNK1 2229/4885MKNK2 1664/4885TOP1 2128/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 MKNK1 2362/4885MKNK2 2558/4885TOP1 905/4885

“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.