SCHEMBL15960805

SCHEMBL15960805

CC1(C)c2cc3c4ccc(OS(=O)(=O)C(F)(F)F)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(OS(=O)(=O)C(F)(F)F)ccc4c3cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 5/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ HTR1B P28222 4/20 0.38
▸ CHRM1 P11229 4/20 0.38
▸ DRD2 P14416 4/20 0.38
▸ DRD3 P35462 4/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ CXCR2 P25025 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CXCR1 P25024 1/20 0.34

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
SCHEMBL15959683 1.00 HTR1D (0.38) HTR1DHTR1AHTR1BCHRM1DRD2
SCHEMBL17792922 0.95 CHRM1 (0.37) HTR1DHTR1AHTR1BCHRM1DRD2
SCHEMBL15959681 0.94 HTR1D (0.35) HTR1DHTR1AHTR1BCHRM1DRD2
SCHEMBL17933198 0.85 CHRM1 (0.36) HTR1DHTR1AHTR1BCHRM1DRD2
SCHEMBL2810467 0.84 HTR1D (0.47) HTR1DHTR1AHTR1BCHRM1DRD2
SCHEMBL1702438 0.84 HTR1D (0.47) HTR1DHTR1AHTR1BCHRM1DRD2
SCHEMBL17548705 0.84 HTR1D (0.47) HTR1DHTR1AHTR1BCHRM1DRD2
SCHEMBL29511664 0.84 HTR1D (0.47) HTR1DHTR1AHTR1BCHRM1DRD2
SCHEMBL10023272 0.84 HTR1D (0.47) HTR1DHTR1AHTR1BCHRM1DRD2
SCHEMBL17922761 0.81 DRD2 (0.39) HTR1DHTR1AHTR1BCHRM1DRD2

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-20160204345-A1 DITRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-07-14 — — US disclosed
US-9166177-B2 Ditriphenylene derivative and organic electroluminescent device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2015-10-20 — — US disclosed
US-20140231754-A1 DITRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Yen, Feng-wen (TW) 2014-08-21 — — 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-20160204345-A1 DITRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NR2E1, NR0B1, NR2E3 HTR1D 1223/4885HTR1A 1705/4885HTR1B 2089/4885

“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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