SCHEMBL8932613

SCHEMBL8932613

CCCC1CC=C(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ESR2 Q92731 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
NLRP3 Q96P20 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
NAAA Q02083 1/20 0.34
FFAR4 Q5NUL3 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
CCNT1 O60563 4/20 0.31
CDK9 P50750 4/20 0.31
KDM1A O60341 2/20 0.31
FGFR2 P21802 2/20 0.31
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
SCHEMBL8936113 0.94 ESR2 (0.34) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8936046 0.93 ESR2 (0.34) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8932625 0.93 PDE5A (0.35) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8932600 0.93 NAAA (0.35) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8932627 0.92 PDE5A (0.34) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8936142 0.92 ESR2 (0.33) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8935972 0.92 ESR2 (0.36) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8936237 0.91 RARB (0.34) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8936206 0.91 RARB (0.34) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8936099 0.91 RARB (0.34) PDE5AHDAC1HDAC6ESR2NPC1

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-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP 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-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 PDE5A 1151/4885HDAC1 3587/4885HDAC6 2354/4885

“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.