SCHEMBL20454532

SCHEMBL20454532

CC(C)[Al](Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.42
LMNA P02545 2/20 0.40
LTA4H P09960 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 2/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 2/20 0.34
RECQL P46063 2/20 0.34
KDM4E B2RXH2 1/20 0.33
KCNA3 P22001 1/20 0.33
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
CYP2D6 P10635 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL394526 0.70 CA4 (0.48) CA4LMNALTA4HTSHRMAOA
SCHEMBL395207 0.70 CA4 (0.48) CA4LMNALTA4HTSHRMAOA
SCHEMBL1561473 0.70 LMNA (0.41) CA4LMNALTA4HTSHRPTGS1
SCHEMBL599721 0.69 LTA4H (0.50) CA4LTA4HTSHRTDP1MAOA
SCHEMBL10883757 0.67 CA4 (0.50) CA4LMNALTA4HTSHRMAOA
SCHEMBL733807 0.65 LTA4H (0.45) CA4LTA4HTSHRTDP1MAOA
SCHEMBL12394 0.65 KMT2A (0.54) CA4LMNALTA4HTSHRALDH1A1
SCHEMBL10886668 0.65 LTA4H (0.45) CA4LMNALTA4HTSHRTDP1
SCHEMBL1453272 0.65 CA4 (0.48) CA4LMNALTA4HTSHRPTGS1
SCHEMBL8667015 0.65 LTA4H (0.45) CA4LMNALTA4HTSHRTDP1

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
WO-2019078080-A1 LEVELING AGENT, INK COMPOSITION FOR FORMATION OF FUNCTIONAL LAYER, AND LAYERED ELECTRONIC COMPONENT DIC株式会社 2019-04-25 WO disclosed
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 CA4 2902/4885LMNA 1246/4885LTA4H 712/4885

“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.