SCHEMBL20454571

SCHEMBL20454571

C=CO/C=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAOB P27338 2/20 0.46
TSHR P16473 1/20 0.46
TRPA1 O75762 2/20 0.40
LMNA P02545 2/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
IDO1 P14902 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL374820 1.00 ALDH1A1 (0.46) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL28658441 0.98 ALDH1A1 (0.44) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL175339 0.85 MAOB (0.55) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL175340 0.85 MAOB (0.55) ALDH1A1MAOBTSHRTRPA1LMNA
Formaldehyde SCHEMBL21494178 0.83 MAOB (0.48) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL18118950 0.78 IDO1 (0.43) ALDH1A1MAOBTSHRLMNAMAPK1
SCHEMBL9491570 0.78 MAOB (0.48) ALDH1A1MAOBTRPA1LMNANFE2L2
SCHEMBL20484200 0.77 RELA (0.47) ALDH1A1NFE2L2ALOX5MAPTCYP2C9
Vinyl Ether SCHEMBL4611616 0.77 ALDH1A1 (0.42) ALDH1A1MAOBTSHRTRPA1LMNA
SCHEMBL18566704 0.76 MAOB (0.46) ALDH1A1MAOBTRPA1LMNANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002604-A1 HETERORING-CONTAINING SILOXANE POLYMER, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT DAINIPPON INK & CHEMICALS (JP) 2019-01-03 US disclosed
US-20180223181-A1 SILOXANE MONOMER, POLYMER THEREOF, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT DAINIPPON INK & CHEMICALS (JP) 2018-08-09 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-20180223181-A1 SILOXANE MONOMER, POLYMER THEREOF, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT ILK, LIMA1, EED ALDH1A1 2951/4885MAOB 3770/4885TSHR 4881/4885

“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.