SCHEMBL552037

SCHEMBL552037

O=C(NCCc1ccc(Br)cc1)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.55
ALDH1A1 P00352 9/20 0.51
TSHR P16473 3/20 0.51
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL551692 0.95 ALDH1A1 (0.56) GPBAR1ALDH1A1TSHRMAPTHTT
SCHEMBL2178711 0.94 ALDH1A1 (0.52) GPBAR1ALDH1A1TSHRHPGDMAPT
SCHEMBL7417587 0.81 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2796009 0.80 MAPT (0.69) GPBAR1ALDH1A1TSHRHPGDMAPT
SCHEMBL13138659 0.79 ALDH1A1 (0.74) ALDH1A1TSHRHPGDUSP2L3MBTL1
SCHEMBL3392745 0.79 ALDH1A1 (0.74) ALDH1A1TSHRHPGDUSP2L3MBTL1
SCHEMBL552941 0.79 ALDH1A1 (0.54) ALDH1A1TSHRHPGDUSP2L3MBTL1
SCHEMBL22179324 0.78 MC4R (0.65) ALDH1A1POLB
SCHEMBL11769350 0.78 ALDH1A1 (0.53) ALDH1A1TSHRMAPTHTTLMNA
SCHEMBL3349120 0.78 ALDH1A1 (0.67) GPBAR1ALDH1A1TSHRHPGDMAPT

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-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA GPBAR1 1719/4885ALDH1A1 2634/4885TSHR 3204/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA GPBAR1 1719/4885ALDH1A1 2634/4885TSHR 3204/4885

“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.