SCHEMBL23406376

SCHEMBL23406376

O=S(=O)(Oc1ccc2c3ccccc3c3c4ccccc4c4ccccc4c3c2c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.44
HTR1A P08908 4/20 0.44
HTR1B P28222 4/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
HSD11B1 P28845 1/20 0.37
CHRM1 P11229 4/20 0.36
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
DRD4 P21917 3/20 0.36
CA9 Q16790 1/20 0.35
CXCR2 P25025 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL13070399 0.97 HTR1D (0.44) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL16108092 0.95 HTR1A (0.43) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL10023272 0.91 HTR1D (0.47) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL1702438 0.91 HTR1D (0.47) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL2810467 0.91 HTR1D (0.47) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL29511664 0.91 HTR1D (0.47) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL17548705 0.91 HTR1D (0.47) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL717994 0.90 HTR1D (0.44) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL18133363 0.87 HTR1A (0.44) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL12465666 0.84 HPRT1 (0.44) HTR1DHTR1AHTR1BCA1CA2

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-11600790-B2 Polycyclic aromatic compound for organic electroluminescent device KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-03-07 US disclosed
US-20210167288-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-06-03 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 (2 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-20210167288-A1 POLYCYCLIC AROMATIC COMPOUND ARNT, TYR, AHR HTR1D 4146/4885HTR1A 3489/4885HTR1B 3709/4885
US-11600790-B2 Polycyclic aromatic compound for organic electroluminescent device AOC2, TYR, BMI1 HTR1D 4351/4885HTR1A 4066/4885HTR1B 4224/4885

“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.