SCHEMBL10088902

SCHEMBL10088902

O=CC1=C(Cl)c2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2OCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.42
SRD5A1 P18405 2/20 0.41
GRM5 P41594 5/20 0.40
SLC6A4 P31645 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SRD5A2 P31213 1/20 0.37
AR P10275 1/20 0.36
CYP26A1 O43174 1/20 0.35

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
SCHEMBL10088940 0.90 SLC6A4 (0.41) MAOBSRD5A1SLC6A4MAOAPTGDR2
SCHEMBL10088464 0.90 MAOB (0.45) MAOBSRD5A1GRM5NPC1ALDH1A1
SCHEMBL10088929 0.89 SRD5A1 (0.47) MAOBSRD5A1GRM5SLC6A4NPC1
SCHEMBL10088922 0.81 SRD5A1 (0.47) MAOBSRD5A1SLC6A4MAOASRD5A2
SCHEMBL10088528 0.80 MAOB (0.47) MAOBSRD5A1GRM5NPC1ALDH1A1
SCHEMBL10088460 0.80 MAOB (0.38) MAOBSRD5A1GRM5NPC1ALDH1A1
SCHEMBL10088996 0.79 S1PR1 (0.52)
SCHEMBL10089035 0.78 MAOB (0.41) MAOBSRD5A1GRM5SLC6A4NPC1
SCHEMBL2325236 0.77 MAOB (0.65) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL12441109 0.76 SRD5A1 (0.37) MAOBSRD5A1SLC6A4MAOASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 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 (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 2521/4885SRD5A1 397/4885GRM5 1852/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 MAOB 3106/4885SRD5A1 494/4885GRM5 1633/4885

“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.