SCHEMBL4413205

SCHEMBL4413205

CC(C)(C(=O)O)c1cc(Br)cc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
APP P05067 1/20 0.38
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 3/20 0.34
TSHR P16473 3/20 0.34
HIF1A Q16665 2/20 0.34
CYP2C9 P11712 1/20 0.34
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MAPK14 Q16539 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL12585616 0.88 RXRA (0.37) NOTUMAPPAKR1C3AKR1C2KMT2A
SCHEMBL826639 0.79 KMT2A (0.45) APPAKR1C3AKR1C2KMT2AMAPT
SCHEMBL5858306 0.78 TSHR (0.59) APPAKR1C3AKR1C2KMT2AMAPT
SCHEMBL13725550 0.78 POLB (0.48) MAPTCYP2C9CYP3A4ALOX15SMN1; SMN2
SCHEMBL897098 0.77 KMT2A (0.43) APPAKR1C3AKR1C2KMT2AMAPT
SCHEMBL4407567 0.77 NOTUM (0.46) NOTUMKMT2AHSD17B10MAPK14MEN1
SCHEMBL27958439 0.77 POLB (0.47) MAPTCYP2C9CYP3A4ALOX15SMN1; SMN2
SCHEMBL15506133 0.74 GABRA1 (0.48) APPAKR1C3AKR1C2KMT2AMAPT
SCHEMBL14372746 0.74 TPMT (0.46) APPAKR1C3AKR1C2KMT2AMAPT
SCHEMBL15506126 0.74 LCK (0.42) AKR1C3AKR1C2ALDH1A1HPGD

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
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 US disclosed
EP-1558577-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-08-03 EP disclosed
WO-2004005256-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 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 (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-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 NOTUM 2460/4885APP 1650/4885AKR1C3 437/4885

“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.