SCHEMBL5482544

SCHEMBL5482544

O=C(C=Cc1ccc(C(F)(F)F)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.54
▸ CYP1A1 P04798 3/20 0.54
▸ CYP1B1 Q16678 3/20 0.54
▸ MAOB P27338 2/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 1/20 0.50

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
SCHEMBL5482543 1.00 KDM4E (0.58) KDM4EALDH1A1CYP1A1CYP1B1MAOB
SCHEMBL5482579 0.89 KDM4E (0.57) KDM4EALDH1A1MAOBCYP1A2CYP2C9
SCHEMBL5480628 0.89 KDM4E (0.57) KDM4EALDH1A1MAOBCYP1A2CYP2C9
SCHEMBL5482583 0.89 KDM4E (0.57) KDM4EALDH1A1MAOBCYP1A2CYP2C9
SCHEMBL5479476 0.89 MEN1 (0.64) KDM4EALDH1A1CYP1A2CYP2C9ABCG2
SCHEMBL5479475 0.89 MEN1 (0.64) KDM4EALDH1A1CYP1A2CYP2C9ABCG2
SCHEMBL5480632 0.89 KDM4E (0.57) KDM4EALDH1A1MAOBCYP1A2CYP2C9
SCHEMBL5478754 0.89 KDM4E (0.60) KDM4EALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL5478757 0.89 KDM4E (0.60) KDM4EALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL5479310 0.88 MAOB (0.58) KDM4EALDH1A1CYP1A1CYP1B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2656/4885ALDH1A1 821/4885CYP1A1 253/4885

“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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