SCHEMBL12229600

SCHEMBL12229600

C=C(C)c1ccc(-c2ccccn2)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.38
▸ BAZ2A Q9UIF9 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ SQOR Q9Y6N5 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CCR1 P32246 2/20 0.36
▸ CCR5 P51681 2/20 0.36
▸ CCR8 P51685 2/20 0.36

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
SCHEMBL11910278 0.79 BRD4 (0.40) KDM4ETSHRHTTBRD4BRD2
SCHEMBL19229871 0.77 KDM4E (0.44) KDM4EALDH1A1HSD17B10HTTSQOR
SCHEMBL12204551 0.77 METAP2 (0.50) KDM4ETSHRALDH1A1HSD17B10HTT
SCHEMBL9258894 0.74 KDM4E (0.50) KDM4ETSHRALDH1A1HSD17B10HTT
SCHEMBL30022592 0.73 KDM4E (0.48) KDM4ETSHRALDH1A1HSD17B10HTT
SCHEMBL8500242 0.71 KDM4E (0.50) KDM4ETSHRALDH1A1HSD17B10HTT
SCHEMBL19398822 0.68 KDM4E (0.42) KDM4EALDH1A1HSD17B10HTTBRD4
SCHEMBL14821700 0.68 HSP90AA1 (0.49) KDM4ETSHRTRPV1SQORABL1
SCHEMBL30178546 0.68 HSP90AA1 (0.49) KDM4ETSHRTRPV1SQORABL1
SCHEMBL7915750 0.68 ALDH1A1 (0.55) KDM4ETSHRALDH1A1HSD17B10HTT

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-20110251391-A1 Preparation of luminescent iridium complexes and precursors thereof NATIONAL CHENG KUNG UNIVERSITY (TW) 2011-10-13 — — 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-20110251391-A1 Preparation of luminescent iridium complexes and precursors thereof SLC5A11, RUVBL2, CCRL2 KDM4E 3965/4885TSHR 494/4885ALDH1A1 3616/4885

“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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