SCHEMBL21392340

SCHEMBL21392340

CC1(C)c2ccccc2Oc2ccc(-c3ccccn3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.44
KCNH2 Q12809 2/20 0.44
PDK2 Q15119 1/20 0.44
CTSD P07339 2/20 0.42
KDM4E B2RXH2 5/20 0.37
CYP1A2 P05177 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL21868183 0.87 PDK2 (0.41) BACE1KCNH2PDK2CTSDKDM4E
SCHEMBL13557543 0.84 BACE1 (0.36) BACE1CTSDLMNANPC1RAB9A
SCHEMBL15394769 0.84 HSD17B1 (0.42) BACE1KCNH2CTSD
SCHEMBL21868416 0.83 PDK2 (0.38) BACE1KCNH2PDK2CTSDCYP2A6
SCHEMBL21868209 0.83 PDK2 (0.38) BACE1KCNH2PDK2CTSDCYP2A6
SCHEMBL21867933 0.82 PDK2 (0.38) BACE1KCNH2PDK2CTSDCYP2A6
SCHEMBL21867651 0.81 PDK2 (0.36) BACE1KCNH2PDK2CTSDKDM4E
SCHEMBL24138467 0.81 MEN1 (0.37) BACE1KCNH2CTSDCYP1A2POLB
SCHEMBL17482788 0.81 PDK2 (0.45) BACE1KCNH2PDK2CTSDKDM4E
SCHEMBL17482779 0.81 PDK2 (0.45) BACE1KCNH2PDK2CTSDKDM4E

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-10886477-B2 Iridium complex and organic electroluminescence device using the same UDC IRELAND LIMITED (IE) 2021-01-05 US disclosed
US-20190296251-A1 IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2019-09-26 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-20190296251-A1 IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IMPA1, LAGE3, OCIAD1 BACE1 1366/4885KCNH2 319/4885PDK2 632/4885
US-10886477-B2 Iridium complex and organic electroluminescence device using the same IMPA1, LAGE3, OCIAD1 BACE1 1366/4885KCNH2 319/4885PDK2 632/4885

“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.