SCHEMBL5483672

SCHEMBL5483672

O=C(/C=C/c1cccnc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.54
▸ CYP1A1 P04798 7/20 0.54
▸ CYP1B1 Q16678 7/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP2C9 P11712 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL5483674 1.00 CYP1A2 (0.54) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6
SCHEMBL5478757 0.87 KDM4E (0.60) CYP1A2CYP3A4KDM4EALDH1A1CYP2C9
SCHEMBL5478754 0.87 KDM4E (0.60) CYP1A2CYP3A4KDM4EALDH1A1CYP2C9
SCHEMBL5486508 0.83 MAPT (0.59) CYP1A2CYP3A4KDM4EALDH1A1CYP2C9
SCHEMBL5486515 0.83 MAPT (0.59) CYP1A2CYP3A4KDM4EALDH1A1CYP2C9
SCHEMBL5475281 0.82 ALDH1A1 (0.53) CYP1A2CYP3A4KDM4EALDH1A1CYP2C9
SCHEMBL5475283 0.82 ALDH1A1 (0.53) CYP1A2CYP3A4KDM4EALDH1A1CYP2C9
SCHEMBL5479415 0.81 KDM4E (0.53) CYP1A2CYP3A4KDM4EALDH1A1CYP2C9
SCHEMBL5479421 0.81 KDM4E (0.53) CYP1A2CYP3A4KDM4EALDH1A1CYP2C9
SCHEMBL5482544 0.81 KDM4E (0.58) CYP1A2CYP1A1CYP1B1KDM4EALDH1A1

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 CYP1A2 954/4885CYP1A1 253/4885CYP1B1 203/4885

“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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