SCHEMBL1243389

SCHEMBL1243389

CCOc1ccc(C2(C=O)CCCCC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HNF4A P41235 1/20 0.34
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MCOLN3 Q8TDD5 2/20 0.32
HCN1 O60741 1/20 0.32
HCN4 Q9Y3Q4 1/20 0.32
TSHR P16473 4/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
KDM1A O60341 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL11894870 0.95 ALDH1A1 (0.33) ALDH1A1NPSR1HNF4A
SCHEMBL28918787 0.79 FGFR1 (0.44) ALDH1A1NPSR1
SCHEMBL8752713 0.77 PDE4A (0.36) ALDH1A1HTTTSHRLMNA
SCHEMBL28918791 0.76 PARP1 (0.34) ALDH1A1NPSR1LMNAKDM4ESLC6A4
SCHEMBL29214529 0.75 SLC6A3 (0.37) ALDH1A1NPSR1KDM1ASLC6A4SLC6A3
SCHEMBL11028664 0.72 SLC6A4 (0.37) SLC6A4SLC6A3
SCHEMBL19357510 0.72 HDAC4 (0.40) MEN1KMT2AKDM4EMAPT
SCHEMBL6753578 0.71 SLC6A3 (0.36) ALDH1A1MAPTPOLBSLC6A4SLC6A3
SCHEMBL28918804 0.71 PDK2 (0.32) ALDH1A1TSHRHSD17B10SLC6A4SLC6A3
SCHEMBL6751683 0.70 SLC6A4 (0.36) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266941-B1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-03-05 EP disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 ALDH1A1 1806/4885NPSR1 3446/4885HNF4A 1088/4885

“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.