SCHEMBL22760633

SCHEMBL22760633

O=S(=O)(Oc1cccc2c1oc1cc(Cl)ccc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.43
▸ PDE4A P27815 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MAOA P21397 2/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ TTR P02766 2/20 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
SCHEMBL20754152 0.87 AHR (0.39) AHRCA1CA2CNR2MAOA
SCHEMBL21109290 0.84 AHR (0.44) AHRPDE4APDE4CPDE4DCA1
SCHEMBL24601973 0.80 AHR (0.41) AHRCNR2MAOAHTR6TTR
SCHEMBL30751952 0.79 MAOA (0.40) CNR2MAOA
SCHEMBL3544562 0.78 AR (0.41) CA1CA2TTR
SCHEMBL20754181 0.78 AHR (0.39) AHRCA1CA2CNR2MAOA
SCHEMBL24390464 0.76 AHR (0.44) AHRCA1CA2MAOAMCL1
SCHEMBL18226861 0.75 PDE4A (0.39) PDE4APDE4CPDE4DCNR2MAOA
SCHEMBL32691372 0.75 DAO (0.33) AHRPDE4APDE4CPDE4DMAOA
SCHEMBL21331558 0.74 AHR (0.44) AHRCNR2MAOAHTR6TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844271-B2 Organic compound, composition, organic optoelectronic device, and display apparatus SAMSUNG SDI CO., LTD. (KR) 2023-12-12 — — US disclosed
US-11844271-B2 Organic compound, composition, organic optoelectronic device, and display apparatus SAMSUNG SDI CO., LTD. (KR) 2023-12-12 — — US disclosed
US-20230371371-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-11-16 — — US disclosed
US-20230371371-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-11-16 — — US disclosed
US-20200388765-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY APPARATUS SAMSUNG SDI CO., LTD. (KR) 2020-12-10 — — 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 (3 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-20230371371-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OCIAD1, OXER1, OR10J3 AHR 2046/4885PDE4A 3793/4885PDE4C 3345/4885
US-20200388765-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY APPARATUS OCIAD1, OXER1, OR10J3 AHR 2625/4885PDE4A 3996/4885PDE4C 3582/4885
US-11844271-B2 Organic compound, composition, organic optoelectronic device, and display apparatus OCIAD1, OXER1, OR10J3 AHR 2625/4885PDE4A 3996/4885PDE4C 3582/4885

“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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