SCHEMBL20905971

SCHEMBL20905971

C=CC(=C)OCCOC(=O)NCC1CC2CCC1C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.33
EPHX2 P34913 3/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SIRT5 Q9NXA8 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IL1B P01584 1/20 0.31
P2RX7 Q99572 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL19010223 0.88 TSHR (0.39) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL19847495 0.88 TSHR (0.39) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL19010229 0.85 TSHR (0.46) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL16380407 0.84 TSHR (0.44) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL18123342 0.82 THRB (0.38) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL20089021 0.79 THRB (0.41) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL20089038 0.78 ALDH1A1 (0.33) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL20089025 0.78 ALDH1A1 (0.36) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL20089028 0.78 ALDH1A1 (0.43) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL18123336 0.78 TSHR (0.41) ADORA2AMEN1NPC1RAB9AKMT2A

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-20190112413-A1 SILICON-CONTAINING COMPOUND, URETHANE RESIN, STRETCHABLE FILM, AND METHOD FOR FORMING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-18 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-20190112413-A1 SILICON-CONTAINING COMPOUND, URETHANE RESIN, STRETCHABLE FILM, AND METHOD FOR FORMING THE SAME PNISR, OR10J3, OXSR1 ADORA2A 3694/4885MEN1 1624/4885NPC1 3132/4885

“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.