SCHEMBL376813

SCHEMBL376813

COC1(Cc2ccccc2C)CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
CYP2A13 Q16696 1/20 0.36
MAOB P27338 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
POLB P06746 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
C5AR1 P21730 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL376854 0.84 ALDH1A1 (0.38) CYP2A13ALDH1A1HTTPOLBL3MBTL1
SCHEMBL376997 0.84 TAAR1 (0.35) CYP2A13ALDH1A1TSHRPOLBTAAR1
SCHEMBL377003 0.84 ALDH1A1 (0.38) MAPK1CYP2A13MAOBALDH1A1TSHR
SCHEMBL4821650 0.80 MAOA (0.38) MAPK1MAOBALDH1A1TSHRHTT
SCHEMBL376479 0.79 MAPK1 (0.41) MAPK1CYP2A13MAOBALDH1A1TSHR
SCHEMBL376968 0.76 MEN1 (0.36) ALDH1A1POLBTAAR1MEN1KMT2A
SCHEMBL13504049 0.76 ACHE (0.46) ALDH1A1POLBTAAR1GAA
SCHEMBL13503627 0.72 SLC6A2 (0.36) POLBTAAR1
SCHEMBL21427376 0.69 MAPK1 (0.41) MAPK1CYP2A13ALDH1A1TSHRHTT
SCHEMBL376616 0.67 LMNA (0.44) POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD MAPK1 4107/4885CYP2A13 4087/4885MAOB 3196/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD MAPK1 4107/4885CYP2A13 4087/4885MAOB 3196/4885

“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.