SCHEMBL11040433

SCHEMBL11040433

CON1CCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
CNR2 P34972 1/20 0.44
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
HTR2A P28223 7/20 0.40
HTR2C P28335 7/20 0.40
HTR2B P41595 6/20 0.39
SCD O00767 1/20 0.36
FPR2 P25090 2/20 0.36
NPC1 O15118 1/20 0.36
MLNR O43193 1/20 0.36
USP1 O94782 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL10224205 0.85 ALDH1A1 (0.38) NOTUMCNR2ALDH1A1TP53CYP3A4
SCHEMBL2625800 0.78 NOTUM (0.49) NOTUMCNR2XIAPBIRC2HTR2A
SCHEMBL12049080 0.77 NOTUM (0.48) NOTUMCNR2XIAPBIRC2HTR2A
SCHEMBL28274954 0.76 CNR2 (0.48) NOTUMCNR2XIAPBIRC2HTR2A
SCHEMBL16301363 0.76 ALDH1A1 (0.46) NOTUMXIAPBIRC2HTR2AHTR2C
SCHEMBL12905311 0.75 NOTUM (0.47) NOTUMCNR2XIAPBIRC2HTR2A
SCHEMBL28270624 0.75 NOTUM (0.41) NOTUMCNR2XIAPBIRC2HTR2A
SCHEMBL10817749 0.75 DRD1 (0.53) NOTUMBIRC2HTR2CHTR2BLMNA
SCHEMBL15893966 0.74 CNR2 (0.47) NOTUMCNR2XIAPBIRC2HTR2A
SCHEMBL14260768 0.74 NOTUM (0.46) NOTUMCNR2XIAPBIRC2HTR2A

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-20120190751-A1 COMPOUNDS FOR TREATMENTS OF INFLAMMATION ANA-MAR AB (SE) 2012-07-26 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-20120190751-A1 COMPOUNDS FOR TREATMENTS OF INFLAMMATION IL6, IL1B, TNF NOTUM 3285/4885CNR2 61/4885XIAP 2279/4885

“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.