SCHEMBL7345338

SCHEMBL7345338

CC(=O)c1ccc(F)cc1OCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MRGPRX1 Q96LB2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAOB P27338 4/20 0.47
MAOA P21397 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
UGCG Q16739 1/20 0.43
RXRA P19793 1/20 0.42
HNF4A P41235 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL22646765 0.88 ALDH1A1 (0.52) ALDH1A1MRGPRX1CYP1A2CYP2C9KDM4E
SCHEMBL20060388 0.88 MAOB (0.47) ALDH1A1MRGPRX1MAOBMAOAKDM4E
SCHEMBL7345021 0.86 KDM4E (0.48) ALDH1A1MRGPRX1CYP1A2CYP2C9KDM4E
SCHEMBL25247535 0.85 FFAR4 (0.56) ALDH1A1MRGPRX1CYP1A2CYP2C9KDM4E
SCHEMBL28417947 0.83 KDM4E (0.46) ALDH1A1MRGPRX1CYP1A2CYP2C9KDM4E
SCHEMBL17859344 0.82 LMNA (0.60) ALDH1A1CYP1A2CYP2C9KDM4EMAPT
SCHEMBL4271221 0.82 CYP3A4 (0.61) ALDH1A1MRGPRX1CYP1A2MAOBMAOA
SCHEMBL30628273 0.82 CYP3A4 (0.61) ALDH1A1MRGPRX1CYP1A2MAOBMAOA
SCHEMBL19524218 0.80 SCN8A (0.62) ALDH1A1CYP1A2CYP2C9KDM4EMAPT
SCHEMBL17420753 0.80 MRGPRX1 (0.45) ALDH1A1MRGPRX1CYP1A2CYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 EP disclosed
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2022-12-08 US disclosed
US-11241423-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2022-02-08 US disclosed
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2020-05-28 US disclosed
EP-3166937-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2019-09-04 EP disclosed
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-08-09 US disclosed
US-9968596-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2018-05-15 US disclosed
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-01-25 US disclosed
US-9808451-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2017-11-07 US disclosed
EP-3166937-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF Celgene Corporation (US) 2017-05-17 EP disclosed
US-20170007590-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2017-01-12 US disclosed
US-9499514-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2016-11-22 US disclosed
WO-2016007848-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION (US) 2016-01-14 WO disclosed
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION 2016-01-14 US disclosed
US-6090805-A Tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 2000-07-18 US disclosed
US-5968938-A Piperazine oxytocin receptor antagonists MERCK & CO., INC. (US) 1999-10-19 US 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 (7 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-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX ALDH1A1 247/4885MRGPRX1 3506/4885CYP1A2 2288/4885
US-20170007590-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX ALDH1A1 247/4885MRGPRX1 3506/4885CYP1A2 2288/4885
US-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX ALDH1A1 247/4885MRGPRX1 3506/4885CYP1A2 2288/4885
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX ALDH1A1 247/4885MRGPRX1 3506/4885CYP1A2 2288/4885
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX ALDH1A1 247/4885MRGPRX1 3506/4885CYP1A2 2288/4885
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX ALDH1A1 247/4885MRGPRX1 3506/4885CYP1A2 2288/4885
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX ALDH1A1 247/4885MRGPRX1 3506/4885CYP1A2 2288/4885

“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.