SCHEMBL2807952

SCHEMBL2807952

CC(=COc1ccc2[nH]ccc2c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
HDAC1 Q13547 1/20 0.42
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP2A6 P11509 2/20 0.41
MAOB P27338 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
AHR P35869 1/20 0.40
NR4A2 P43354 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
RAD51 Q06609 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.40
THRA P10827 1/20 0.40

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
SCHEMBL2807949 1.00 MAOA (0.49) MAOAHDAC1LTA4HPTGS2CYP2A6
SCHEMBL2812799 0.82 MAOA (0.47) MAOAHDAC1MAOBMAPTRAB9A
SCHEMBL2812802 0.82 MAOA (0.47) MAOAHDAC1MAOBMAPTRAB9A
SCHEMBL2808856 0.77 PTPN7 (0.47) CYP2A6MAPTRAB9ACYP1A2
SCHEMBL2808860 0.77 PTPN7 (0.47) CYP2A6MAPTRAB9ACYP1A2
Acetic Acid SCHEMBL27184854 0.77 POLB (0.59) MAOAHDAC1PTGS2MAOBCYP1A2
SCHEMBL272553 0.75 MAOA (0.64) MAOAHDAC1MAOBMAPTRAB9A
SCHEMBL8668523 0.75 CYP2A6 (0.55) MAOAHDAC1LTA4HCYP2A6MAOB
SCHEMBL9372618 0.75 CYP2A6 (0.56) MAOAPTGS2CYP2A6MAOBMAPT
SCHEMBL2815936 0.74 MAOA (0.37) MAOACYP2A6MAOBMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 WO 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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 MAOA 929/4885HDAC1 830/4885LTA4H 1295/4885

“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.