SCHEMBL10088985

SCHEMBL10088985

CCOC(=O)[C@@H]1CCCN(CC2=Cc3ccc(OCc4ccc(OCC(F)(F)F)c(C(F)(F)F)c4)cc3OC2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 7/20 0.47
MAPK1 P28482 3/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10088653 0.97 L3MBTL1 (0.51) L3MBTL1ALDH1A1KDM4EMAPK1ATM
SCHEMBL10088661 0.94 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EMAPK1ATM
SCHEMBL10088649 0.93 L3MBTL1 (0.49) L3MBTL1ALDH1A1KDM4EMAPK1ATM
SCHEMBL10088987 0.92 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM4ETDP1GAA
SCHEMBL2385531 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4EMAPK1ATM
SCHEMBL2327269 0.91 S1PR1 (0.45) L3MBTL1MAPK1
SCHEMBL10088663 0.90 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EMAPK1ATM
SCHEMBL10088829 0.90 MAPK1 (0.45) L3MBTL1ALDH1A1KDM4EMAPK1GAA
SCHEMBL10089053 0.89 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4EMAPK1ATM
SCHEMBL10088665 0.88 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4ETDP1GAA

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 L3MBTL1 2259/4885ALDH1A1 2201/4885KDM4E 3199/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 L3MBTL1 1453/4885ALDH1A1 2294/4885KDM4E 2391/4885

“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.