SCHEMBL29313221

SCHEMBL29313221

CC(C)(C)c1ccc(N2c3ccccc3Oc3cc(-c4ccc5c(c4)Sc4ccccc4N5c4ccc(C(C)(C)C)cc4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
NOX1 Q9Y5S8 2/20 0.33
MEN1 O00255 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL5798501 0.89 HDAC6 (0.46) HDAC6NOX1MEN1ADRA2AADRA2B
SCHEMBL20291135 0.89 HDAC6 (0.38) HDAC6NOX1MEN1ADRA2ASLC6A2
SCHEMBL14934590 0.88 CA12 (0.37) HDAC6CA12CA9
SCHEMBL10331696 0.84 HDAC6 (0.34) HDAC6NOX1MEN1ADRA2AADRA2B
SCHEMBL10331698 0.84 HDAC6 (0.40) HDAC6NOX1MEN1ADRA2AADRA2B
SCHEMBL5796838 0.81 HDAC6 (0.48) HDAC6NOX1MEN1ADRA2AADRA2B
SCHEMBL17278506 0.81 HDAC6 (0.38) HDAC6NOX1MEN1ADRA2AADRA2B
SCHEMBL10331701 0.80 HDAC6 (0.32) HDAC6L3MBTL1
SCHEMBL14932219 0.80 P2RX4 (0.38)
SCHEMBL5795307 0.80 HDAC6 (0.54) HDAC6NOX1MEN1ADRA2AADRA2B

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-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 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-12041848-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 HDAC6 3140/4885NOX1 460/4885MEN1 798/4885

“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.