SCHEMBL2328809

SCHEMBL2328809

CC(C)(C)[Si](Oc1ccc2c(c1)OCCC2=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.55
GRM5 P41594 9/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAOA P21397 1/20 0.44

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
SCHEMBL7712827 0.91 MAOB (0.44) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL3139725 0.88 MAOB (0.53) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL2312308 0.78 MAOB (0.43) MAOBGRM5NPC1ALDH1A1RAB9A
SCHEMBL17362138 0.75 MAOB (0.67) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL30132519 0.75 MAOB (0.67) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL9140581 0.75 MAOB (0.53) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL67621 0.73 MAOB (0.60) MAOBGRM5NPC1ALDH1A1HPGD
Cyclopropane SCHEMBL28516873 0.72 MAOB (0.59) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL2326572 0.71 MAOB (1.00) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL29889798 0.71 MAOB (1.00) MAOBGRM5NPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP 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 (2 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 MAOB 2521/4885GRM5 1852/4885NPC1 372/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 MAOB 3106/4885GRM5 1633/4885NPC1 271/4885

“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.