SCHEMBL13855541

SCHEMBL13855541

CCCC(C)NCC(C)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.41
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.35
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 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
SCHEMBL15468368 0.81 ADRB2 (0.39) ADRB2TSHRPOLBKMT2AALDH1A1
SCHEMBL20996687 0.80 TDP1 (0.36) ADRB2TSHRKMT2AALDH1A1TDP1
SCHEMBL6691743 0.80 HDAC7 (0.39) ADRB2TSHRHDAC7HDAC8HDAC6
SCHEMBL19663770 0.79 ADRB2 (0.35) ADRB2TSHR
SCHEMBL7775077 0.79 ADRB2 (0.35) ADRB2TSHR
SCHEMBL23766613 0.79
SCHEMBL7056728 0.79
SCHEMBL12766136 0.79
SCHEMBL27205672 0.78 GABRR1 (0.34) ADRB2
SCHEMBL23240923 0.77 TSHR (0.42) ADRB2TSHRALDH1A1KDM4E

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-8647613-B2 Drug carrier JCR PHARMACEUTICALS CO., LTD. (JP) 2014-02-11 US disclosed
US-20090136443-A1 Drug Carrier OXGENIX CO., LTD. (JP) 2009-05-28 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-20090136443-A1 Drug Carrier ABCB11, SLC47A1, SLC47A2 ADRB2 1453/4885TSHR 1837/4885POLB 3362/4885

“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.