SCHEMBL10088929

SCHEMBL10088929

CC1=C(C=O)CCOc2cc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.47
MAOB P27338 14/20 0.42
GRM5 P41594 5/20 0.40
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
CYP26A1 O43174 1/20 0.37
MAOA P21397 3/20 0.37
SRD5A2 P31213 1/20 0.37
SLC6A4 P31645 1/20 0.36
PRKD3 O94806 1/20 0.35
S1PR1 P21453 1/20 0.35
CDK7 P50613 1/20 0.35
JAK3 P52333 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
SCHEMBL10088528 0.91 MAOB (0.47) SRD5A1MAOBGRM5NPC1ALDH1A1
SCHEMBL10088922 0.90 SRD5A1 (0.47) SRD5A1MAOBCYP26A1MAOASRD5A2
SCHEMBL10088902 0.89 MAOB (0.42) SRD5A1MAOBGRM5NPC1ALDH1A1
SCHEMBL1874151 0.85 SRD5A1 (0.55) SRD5A1MAOBCYP26A1MAOASRD5A2
SCHEMBL10088464 0.82 MAOB (0.45) SRD5A1MAOBGRM5NPC1ALDH1A1
SCHEMBL10088527 0.82 MAOB (0.39) SRD5A1MAOBGRM5NPC1RAB9A
SCHEMBL10088940 0.81 SLC6A4 (0.41) SRD5A1MAOBMAOASRD5A2SLC6A4
SCHEMBL10089009 0.79 S1PR1 (0.53) PRKD3S1PR1CDK7JAK3TNK2
SCHEMBL10089035 0.78 MAOB (0.41) SRD5A1MAOBGRM5NPC1ALDH1A1
SCHEMBL10088411 0.77 MAOB (0.65) 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 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 SRD5A1 397/4885MAOB 2521/4885GRM5 1852/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 SRD5A1 494/4885MAOB 3106/4885GRM5 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.