SCHEMBL5475283

SCHEMBL5475283

Cc1cccc(C=CC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL5475281 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDCYP2C19ATM
SCHEMBL5484578 0.88 CYP3A4 (0.66) CYP3A4HPGDCYP2C19ATMCYP1A2
SCHEMBL5484573 0.88 CYP3A4 (0.66) CYP3A4HPGDCYP2C19ATMCYP1A2
SCHEMBL5486508 0.88 MAPT (0.59) ALDH1A1CYP3A4HPGDCYP2C19ATM
SCHEMBL5486515 0.88 MAPT (0.59) ALDH1A1CYP3A4HPGDCYP2C19ATM
SCHEMBL5480628 0.88 KDM4E (0.57) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL5480632 0.88 KDM4E (0.57) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL5478757 0.88 KDM4E (0.60) ALDH1A1CYP3A4HPGDCYP2C19ATM
SCHEMBL5478754 0.88 KDM4E (0.60) ALDH1A1CYP3A4HPGDCYP2C19ATM
SCHEMBL5484698 0.83 PDE4A (0.67) ALDH1A1KDM4ECYP1A2CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256219-B2 Multifluoro-substituted chalcones and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-08-14 — — US claimed
US-20040171637-A1 Multifluoro-substituted chalcones and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-09-02 — — US claimed
WO-2002072544-A2 MULTIFLUORO-SUBSTITUTED CHALCONES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-09-19 — — WO claimed
US-7256219-B2 Multifluoro-substituted chalcones and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-08-14 — — US disclosed
US-20040171637-A1 Multifluoro-substituted chalcones and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-09-02 — — US disclosed
WO-2002072544-A2 MULTIFLUORO-SUBSTITUTED CHALCONES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-09-19 — — 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 (1 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-20040171637-A1 Multifluoro-substituted chalcones and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP6, CASP1 ALDH1A1 821/4885CYP3A4 544/4885HPGD 2045/4885

“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.

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