SCHEMBL17153719

SCHEMBL17153719

CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc4ccccc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.34
▸ SIGMAR1 Q99720 5/20 0.33
▸ CA12 O43570 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ PGR P06401 3/20 0.32
▸ SLC6A9 P48067 1/20 0.32
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ C5AR1 P21730 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 1/20 0.30

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
SCHEMBL17153640 1.00 PDK2 (0.34) PDK2SIGMAR1CA12CA1CA2
SCHEMBL15495760 0.99 SIGMAR1 (0.34) PDK2SIGMAR1CA12CA1CA2
SCHEMBL17153638 0.99 PDK2 (0.35) PDK2SIGMAR1CA12CA1CA2
SCHEMBL16922970 0.99 PDK2 (0.35) PDK2SIGMAR1CA12CA1CA2
SCHEMBL17153708 0.99 PDK2 (0.35) PDK2SIGMAR1CA12CA1CA2
SCHEMBL16366592 0.99 PDK2 (0.35) PDK2SIGMAR1CA12CA1CA2
SCHEMBL17153704 0.99 PDK2 (0.35) PDK2SIGMAR1CA12CA1CA2
SCHEMBL20470710 0.98 SIGMAR1 (0.34) PDK2SIGMAR1CA12CA1CA2
SCHEMBL15495893 0.98 SIGMAR1 (0.33) PDK2SIGMAR1CA12CA1CA2
SCHEMBL18436006 0.98 SIGMAR1 (0.33) PDK2SIGMAR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871203-B2 Aromatic amine derivative, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 — — US disclosed
US-9871203-B2 Aromatic amine derivative, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 — — US disclosed
US-20150287921-A1 AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 — — US disclosed
US-20150287921-A1 AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 — — 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-20150287921-A1 AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE RER1, AFF1, ESR2 PDK2 3794/4885SIGMAR1 1356/4885CA12 3853/4885

“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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