SCHEMBL8942338

SCHEMBL8942338

C=CCOc1ccc(-c2ccc(-c3ccc(-c4ncc(CCC)cn4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR2A P28223 2/20 0.32
FGFR1 P11362 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
SCHEMBL8945787 0.85 RARB (0.39) LMNAPOLBHTR2CHTR2BALDH1A1
SCHEMBL6673193 0.81 HTR2C (0.34) CTSLCTSSCTSKLMNAPOLB
SCHEMBL8942564 0.79 RAB9A (0.49) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL12172444 0.77 HTR2C (0.39) LMNAHTR2CHTR2BALDH1A1MEN1
SCHEMBL9341721 0.76 RAB9A (0.46) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL13000447 0.76 HTR2C (0.32) HTR2CHTR2BGAA
SCHEMBL16247700 0.75 MAPT (0.42) LMNAPOLBHTR2CHTR2BALDH1A1
SCHEMBL6850586 0.74 RARB (0.38) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL14766758 0.74 CTSL (0.36) CTSLCTSSCTSKLMNAPOLB
SCHEMBL3437380 0.74 GABRA1 (0.42) CTSLCTSSCTSKPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 CTSL 4461/4885CTSS 3654/4885CTSK 3495/4885

“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.