SCHEMBL12366291

SCHEMBL12366291

C=CC1CCC(C2CCC(COc3cccc(C)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
PDE10A Q9Y233 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
NR3C1 P04150 1/20 0.34
C5AR1 P21730 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HTR2C P28335 4/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
KCNN4 O15554 1/20 0.33
CXCR5 P32302 1/20 0.32
MCHR1 Q99705 2/20 0.32

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
SCHEMBL12366294 0.89 HTR2C (0.33) RIPK1PDE10AHTR2CHTR2AHTR2B
SCHEMBL2266997 0.87 KCNN4 (0.36) RIPK1HTR2CHTR2AHTR2BKCNN4
SCHEMBL2266985 0.87 KCNN4 (0.36) RIPK1HTR2CHTR2AHTR2BKCNN4
SCHEMBL2266993 0.87 KCNN4 (0.36) RIPK1HTR2CHTR2AHTR2BKCNN4
SCHEMBL24170300 0.85 HTR2C (0.37) RIPK1HTR2CHTR2AHTR2B
SCHEMBL12366417 0.85 HTR2C (0.37) RIPK1HTR2CHTR2AHTR2B
SCHEMBL24153922 0.85 RIPK1 (0.47) RIPK1PDE10ABRD4ALDH1A1GLA
SCHEMBL13417688 0.84 HTR2C (0.35) RIPK1PDE10AHTR2CHTR2AHTR2B
SCHEMBL12366340 0.84 BRD4 (0.42) RIPK1PDE10ABRD4ALDH1A1GLA
SCHEMBL12366346 0.84 RIPK1 (0.41) RIPK1PDE10ABRD4ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003006-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2011-08-23 US disclosed
US-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-08-13 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-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME TRPV2, HCN2, DVL1 RIPK1 2530/4885PDE10A 1494/4885BRD4 1771/4885

“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.