SCHEMBL8959989

SCHEMBL8959989

COc1ccc(COC(=O)CCCBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
FFAR1 O14842 1/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
F2RL1 P55085 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX5 P09917 1/20 0.45
GAA P10253 1/20 0.45
CALM1 P0DP23 1/20 0.45
GSK3B P49841 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL21677866 0.95 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1MAPK1FFAR1
SCHEMBL5833853 0.94 ALDH1A1 (0.53) ALDH1A1KMT2AL3MBTL1MAPK1FFAR1
SCHEMBL18381104 0.92 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1MAPK1FFAR1
SCHEMBL18782519 0.92 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1MAPK1FFAR1
SCHEMBL18381100 0.90 ALDH1A1 (0.53) ALDH1A1KMT2AL3MBTL1MAPK1FFAR1
SCHEMBL3732372 0.88 ALDH1A1 (0.59) ALDH1A1KMT2AL3MBTL1MAPK1FFAR1
SCHEMBL7500299 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AL3MBTL1MAPK1FFAR1
SCHEMBL15164337 0.87 ALOX5 (0.60) ALDH1A1KMT2AL3MBTL1FFAR1POLB
SCHEMBL10687182 0.86 FFAR1 (0.50) ALDH1A1KMT2AL3MBTL1MAPK1FFAR1
SCHEMBL8084703 0.86 CNR1 (0.50) ALDH1A1KMT2AL3MBTL1MAPK1FFAR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191477-A1 Fluoride Processing Method GE HEALTHCARE LIMITED (GB) 2015-07-09 US disclosed
US-20150191477-A1 Fluoride Processing Method GE HEALTHCARE LIMITED (GB) 2015-07-09 US disclosed
US-8980221-B2 Fluoride processing method GE HEALTHCARE LIMITED (GB) 2015-03-17 US disclosed
US-8980221-B2 Fluoride processing method GE HEALTHCARE LIMITED (GB) 2015-03-17 US disclosed
US-20100285570-A1 FLUORIDE PROCESSING METHOD JACKSON ALEXANDER 2010-11-11 US disclosed
US-20100178242-A1 LABELLING METHODS GE HEALTHCARE LIMITED (GB) 2010-07-15 US disclosed
US-20100178242-A1 LABELLING METHODS GE HEALTHCARE LIMITED (GB) 2010-07-15 US disclosed
WO-2009083530-A2 FLUORIDE PROCESSING METHOD GE HEALTHCARE LIMITED (GB) 2009-07-09 WO disclosed
WO-2008155339-A2 LABELLING METHODS GE HEALTHCARE LIMITED (GB) 2008-12-24 WO disclosed
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO 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 (3 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-20100285570-A1 FLUORIDE PROCESSING METHOD SLCO1B1, CTSF, MEN1 ALDH1A1 1788/4885KMT2A 2326/4885L3MBTL1 4377/4885
US-20100178242-A1 LABELLING METHODS FURIN, FGF23, FGF2 ALDH1A1 2015/4885KMT2A 2877/4885L3MBTL1 4189/4885
US-20150191477-A1 Fluoride Processing Method SLCO1B1, CTSF, MEN1 ALDH1A1 1788/4885KMT2A 2326/4885L3MBTL1 4377/4885

“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.