SCHEMBL13503571

SCHEMBL13503571

COc1ccc(C=C2CCC(C(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CHRNA7 P36544 1/20 0.45
CYP1A2 P05177 1/20 0.45
MEN1 O00255 1/20 0.43
DYRK1A Q13627 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
MAPT P10636 2/20 0.42
PIM1 P11309 1/20 0.41
AKR1B1 P15121 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CLK1 P49759 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 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
SCHEMBL13503595 0.83 NPC1 (0.51) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL13503717 0.83 PIM1 (0.44) PIM1PIM2ALDH1A1KDM4E
SCHEMBL28693827 0.82 CYP1A2 (0.56) NPC1RAB9ACHRNA7CYP1A2DYRK1A
SCHEMBL14028117 0.81 CHRNA7 (0.49) KMT2ANPC1RAB9ACHRNA7CYP1A2
SCHEMBL13503593 0.79 AKR1C3 (0.44) PIM1PIM2ALDH1A1EGFRKDM4E
SCHEMBL13503639 0.79 MAPT (0.44) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL13503817 0.78 KMT2A (0.38) KMT2ANPC1RAB9ACHRNA7CYP1A2
SCHEMBL16773077 0.77 CYP1A2 (0.56) KMT2ANPC1RAB9ACYP1A2DYRK1A
SCHEMBL13503847 0.76 ROCK2 (0.42) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL13503689 0.74 NFE2L2 (0.38) KMT2ANPC1RAB9AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD KMT2A 3213/4885NPC1 1851/4885RAB9A 4506/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD KMT2A 1794/4885NPC1 2295/4885RAB9A 4492/4885

“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.