SCHEMBL8936073

SCHEMBL8936073

C=CCOc1ccc(-c2ccc(-c3ccc(C4=CCC(CCC)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.33
HTR2B P41595 4/20 0.33
PDE5A O76074 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ESR2 Q92731 1/20 0.32
HTR2A P28223 2/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
NLRP3 Q96P20 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL8936261 0.94 HTR2C (0.32) HTR2CHTR2BPDE5AHDAC1HDAC6
SCHEMBL8937517 0.94 HTR2C (0.34) HTR2CHTR2BHTR2A
SCHEMBL8936417 0.93 HTR2C (0.32) HTR2CHTR2BESR2
SCHEMBL8937132 0.92 ESR2 (0.33) HTR2CHTR2BESR2
SCHEMBL8963885 0.90 HTR2C (0.31) HTR2CHTR2BHTR2A
SCHEMBL8932613 0.90 PDE5A (0.38) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8936998 0.89 HTR2C (0.32) HTR2CHTR2BESR2
SCHEMBL8936113 0.89 ESR2 (0.34) PDE5AHDAC1HDAC6ESR2NPC1
SCHEMBL8937073 0.88 ESR2 (0.33) PDE5AHDAC1HDAC6ESR2
SCHEMBL8936046 0.88 ESR2 (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 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 HTR2C 447/4885HTR2B 1261/4885PDE5A 1151/4885

“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.