SCHEMBL10088909

SCHEMBL10088909

COC(=O)c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.56
MRGPRX4 Q96LA9 3/20 0.56
KDM4E B2RXH2 3/20 0.49
CYP2C9 P11712 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
S1PR1 P21453 1/20 0.49
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.45
ESRRA P11474 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 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
SCHEMBL2018525 0.88 NOTUM (0.56) NOTUMMRGPRX4KDM4ECYP2C9MAPT
SCHEMBL16372433 0.87 MRGPRX4 (0.53) NOTUMMRGPRX4KDM4ECYP2C9MAPT
SCHEMBL25313061 0.86 KDM4E (0.56) NOTUMMRGPRX4KDM4ECYP2C9MAPT
SCHEMBL15662107 0.86 MRGPRX4 (0.54) NOTUMMRGPRX4KDM4EMAPTHTT
SCHEMBL16533323 0.85 MAPT (0.59) NOTUMKDM4ECYP2C9MAPTHTT
SCHEMBL4275295 0.85 MAPT (0.59) NOTUMKDM4ECYP2C9MAPTHTT
SCHEMBL16372301 0.85 NOTUM (0.51) NOTUMMRGPRX4KDM4ECYP2C9MAPT
SCHEMBL313614 0.85 CYP2C9 (0.48) KDM4ECYP2C9MAPTHTTMEN1
SCHEMBL4841409 0.85 MRGPRX4 (0.53) NOTUMMRGPRX4KDM4ECYP2C9MAPT
SCHEMBL26291313 0.85 MRGPRX4 (0.53) NOTUMMRGPRX4KDM4ECYP2C9MAPT

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 NOTUM 1923/4885MRGPRX4 319/4885KDM4E 3199/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 NOTUM 2819/4885MRGPRX4 205/4885KDM4E 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.