SCHEMBL17933198

SCHEMBL17933198

O=S(=O)(Oc1ccc2c(c1)c1ccccc1c1cc3c(cc21)C1(c2ccccc2-c2ccccc21)c1ccccc1-3)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 4/20 0.36
▸ HTR1D P28221 5/20 0.36
▸ HTR1A P08908 4/20 0.36
▸ HTR1B P28222 4/20 0.36
▸ PDK2 Q15119 10/20 0.36
▸ DRD2 P14416 4/20 0.34
▸ DRD3 P35462 4/20 0.34
▸ DRD4 P21917 3/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL17792922 0.88 CHRM1 (0.37) CHRM1HTR1DHTR1AHTR1BPDK2
SCHEMBL17933265 0.88 PDK2 (0.34) CHRM1PDK2DRD2DRD3DRD4
SCHEMBL15959683 0.85 HTR1D (0.38) CHRM1HTR1DHTR1AHTR1BDRD2
SCHEMBL15960805 0.85 HTR1D (0.38) CHRM1HTR1DHTR1AHTR1BDRD2
SCHEMBL17933283 0.84 PDK2 (0.34) CHRM1HTR1DHTR1AHTR1BPDK2
SCHEMBL6128515 0.84 PDK2 (0.40) CHRM1HTR1DHTR1AHTR1BPDK2
SCHEMBL2810467 0.82 HTR1D (0.47) CHRM1HTR1DHTR1AHTR1BDRD2
SCHEMBL1702438 0.82 HTR1D (0.47) CHRM1HTR1DHTR1AHTR1BDRD2
SCHEMBL29511664 0.82 HTR1D (0.47) CHRM1HTR1DHTR1AHTR1BDRD2
SCHEMBL17548705 0.82 HTR1D (0.47) CHRM1HTR1DHTR1AHTR1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160211456-A1 PHENANTHRO[9,10-b]TETRAPHENYLENE DERIVATIVE AND USE THEREOF LUMINESCENCE TECHNOLOGY CORP. 2016-07-21 — — 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-20160211456-A1 PHENANTHRO[9,10-b]TETRAPHENYLENE DERIVATIVE AND USE THEREOF POP1, TERB1, AP2B1 CHRM1 1504/4885HTR1D 330/4885HTR1A 273/4885

“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.

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