SCHEMBL3399802

SCHEMBL3399802

CCCCC(=O)/C=C/c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IAPP P10997 3/20 0.65
APP P05067 1/20 0.57
HSD11B1 P28845 1/20 0.55
TRPA1 O75762 3/20 0.54
HTR7 P34969 1/20 0.53
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.50
TNFRSF1A P19438 1/20 0.50
POLB P06746 1/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL3399806 1.00 IAPP (0.65) IAPPAPPHSD11B1TRPA1HTR7
SCHEMBL3402916 0.90 IAPP (0.63) IAPPAPPHSD11B1TRPA1LMNA
SCHEMBL3402919 0.90 IAPP (0.63) IAPPAPPHSD11B1TRPA1LMNA
SCHEMBL27629789 0.83 IAPP (0.69) IAPPAPPHSD11B1MAOBMAOA
SCHEMBL3395879 0.83 ALDH1A1 (0.66) IAPPAPPLMNARAB9AKMT2A
SCHEMBL3395878 0.83 ALDH1A1 (0.66) IAPPAPPLMNARAB9AKMT2A
SCHEMBL3401728 0.82 HSD11B1 (0.62) IAPPHSD11B1TRPA1LMNAHPGD
SCHEMBL3401725 0.82 HSD11B1 (0.62) IAPPHSD11B1TRPA1LMNAHPGD
SCHEMBL11070375 0.82 IAPP (0.63) IAPPAPPPOLBRAB9AKMT2A
SCHEMBL28417654 0.81 HSD11B1 (0.60) HSD11B1TRPA1LMNATNFRSF1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US disclosed
EP-2249820-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-11-17 EP disclosed
WO-2009089082-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-07-16 WO disclosed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 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-20090176883-A1 TRPA1 Antagonists TRPA1, TRPV1, TRPV3 IAPP 812/4885APP 815/4885HSD11B1 3384/4885

“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.