SCHEMBL1357313

SCHEMBL1357313

CCC(C(=O)O)c1ccc(Br)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 3/20 0.38
GRM1 Q13255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
AKR1C3 P42330 6/20 0.38
AKR1C2 P52895 6/20 0.38
AKR1C1 Q04828 2/20 0.38
PTGS1 P23219 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
FPR2 P25090 3/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35

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
SCHEMBL16744658 1.00 HTT (0.39) HTTMEN1KMT2ACYP1A2GRM1
SCHEMBL8169224 1.00 HTT (0.39) HTTMEN1KMT2ACYP1A2GRM1
SCHEMBL3472223 0.85 EPHX1 (0.36) HTTMEN1KMT2ACYP1A2GRM1
SCHEMBL510474 0.83 SRC (0.44) MEN1KMT2ACYP1A2GRM1TDP1
SCHEMBL6829540 0.83 ALDH1A1 (0.40) HTTKMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL2637191 0.82 FPR2 (0.47) AKR1C3AKR1C2AKR1C1PTGS1SMN1; SMN2
SCHEMBL2383322 0.82 TSHR (0.40) MEN1KMT2ATDP1AKR1C3AKR1C2
SCHEMBL3171360 0.80 GRM1 (0.38) MEN1KMT2ACYP1A2GRM1TDP1
SCHEMBL509516 0.80 AKR1C3 (0.43) MEN1KMT2ACYP1A2GRM1TDP1
SCHEMBL16747652 0.79 ATM (0.40) HTTKMT2ATDP1AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067458-B2 Alkoxyalkyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-11-29 US disclosed
US-20090239906-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-09-24 US disclosed
US-20070244007-A1 Cis-Alkoxyspiro-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2007-10-18 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-20070244007-A1 Cis-Alkoxyspiro-Substituted Tetramic Acid Derivatives AGXT, PAOX, DDT HTT 1003/4885MEN1 3860/4885KMT2A 3415/4885
US-20090239906-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETOENOLS DDT, EBP, TET1 HTT 3700/4885MEN1 4824/4885KMT2A 936/4885

“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.