SCHEMBL21146759

SCHEMBL21146759

C=C/C(=C\C=C(/C)c1ccc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)cc1)N(c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PPARG P37231 10/20 0.36
▸ PPARA Q07869 10/20 0.36
▸ PPARD Q03181 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL16417807 0.84 SIGMAR1 (0.39) CYP2C9CYP2C19CYP1A2SIGMAR1
SCHEMBL21011049 0.84 — —
SCHEMBL21098281 0.83 SIGMAR1 (0.43) CYP2C9CYP2C19CYP1A2SIGMAR1
SCHEMBL22922971 0.81 MAPT (0.33) —
SCHEMBL18801271 0.78 HDAC8 (0.49) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL18801273 0.76 PPARG (0.36) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL25912759 0.76 CA12 (0.41) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL24919135 0.76 MCL1 (0.36) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL19150798 0.76 KAT6A (0.32) —
SCHEMBL21040955 0.74 CA12 (0.49) CYP2C9CYP2C19CYP1A2HDAC8HDAC6

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-11716898-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-01 — — US disclosed
US-20190214582-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-07-11 — — 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-11716898-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, JUND CYP2C9 1567/4885CYP2C19 1788/4885CYP1A2 2564/4885
US-20190214582-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP CYP2C9 810/4885CYP2C19 1394/4885CYP1A2 554/4885

“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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