SCHEMBL19544819

SCHEMBL19544819

C=C/C(=C\C=C(/C)N(c1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PPARG P37231 9/20 0.37
▸ PPARA Q07869 9/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 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
SCHEMBL19544820 0.88 HDAC8 (0.35) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL23951442 0.84 CASP3 (0.33) ALDH1A1MAPTHPGD
SCHEMBL22671622 0.84 PPARG (0.33) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL22932216 0.83 KMO (0.36) CYP2C9CYP2C19CYP1A2PPARGPPARA
SCHEMBL19991630 0.83 PPARG (0.32) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL22640636 0.81 — —
SCHEMBL19851285 0.80 SIGMAR1 (0.42) CYP2C9CYP2C19CYP1A2SIGMAR1ALDH1A1
SCHEMBL19654949 0.79 MAPT (0.32) CYP2C9CYP2C19CYP1A2KDM4EALDH1A1
SCHEMBL22868392 0.79 MCL1 (0.32) CYP2C9CYP2C19HDAC8HDAC6PPARG
SCHEMBL23838470 0.78 NPSR1 (0.34) CYP2C9CYP2C19CYP1A2HDAC6KDM4E

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-20170317290-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY APPARATUS USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE DUK SAN NEOLUX CO., LTD. (KR) 2017-11-02 — — 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-20170317290-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY APPARATUS USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE OCIAD2, OCIAD1, EPHA4 CYP2C9 2225/4885CYP2C19 2137/4885CYP1A2 2484/4885

“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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