SCHEMBL10088928

SCHEMBL10088928

O=CC1=Cc2ccc(-c3ccc(F)cc3F)cc2OC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.38
PDE3A Q14432 6/20 0.38
NR3C2 P08235 3/20 0.38
PGR P06401 2/20 0.38
TDP2 O95551 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DHFR P00374 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
CXCL12 P48061 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL9810083 0.85 PTGS1 (0.44) NR3C2KDM4EPTGS1PTGS2ESR1
SCHEMBL10088484 0.76 NR3C2 (0.53) NR3C2PTGS1PTGS2
SCHEMBL10088907 0.75 ALOX5 (0.40) KDM4EPTGS1PTGS2
SCHEMBL10088944 0.75 AR (0.39) USP2ALDH1A1LMNAHIF1AHSD17B10
SCHEMBL10088938 0.74 CA12 (0.35) KDM4EALDH1A1PTGS1PTGS2
SCHEMBL10088925 0.74 CA9 (0.48) TDP2MEN1ALDH1A1KMT2APTGS1
SCHEMBL25854672 0.73 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL10310537 0.71 PTGS1 (0.46) KDM4EALDH1A1LMNAHPGDPTGS1
SCHEMBL10088926 0.71 CA9 (0.43) PGRPTGS1PTGS2
SCHEMBL10088989 0.70 HTR2C (0.48)

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
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

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 PDE3B 655/4885PDE3A 806/4885NR3C2 256/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 PDE3B 863/4885PDE3A 1066/4885NR3C2 144/4885

“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.