SCHEMBL17616807

SCHEMBL17616807

C=COC(C)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.52
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
AOC3 Q16853 2/20 0.43
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
MMP9 P14780 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL17615207 0.83 UGT2B7 (0.46) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL11349619 0.82 UGT2B7 (0.52) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL17616395 0.81 MEN1 (0.51) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL7055482 0.79 UGT2B7 (0.61) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL2956980 0.79 UGT2B7 (0.61) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL3124255 0.79 HDAC4 (0.32) ADRA2BADRA2CCYP3A4
SCHEMBL11672373 0.79 UGT2B7 (0.61) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL3124949 0.78 TYR (0.31)
SCHEMBL1753651 0.77 UGT2B7 (0.59) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL8105843 0.77 HCAR2 (0.43) CYP2D6TSHRHIF1AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083409-A1 METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-24 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-20160083409-A1 METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES ALDH1A1, ALDH3A1, ADH1A UGT2B7 1698/4885MEN1 2483/4885KMT2A 996/4885

“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.