SCHEMBL4473693

SCHEMBL4473693

CC=C(C)C(=O)Oc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAOB P27338 1/20 0.40
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
FAAH O00519 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
PTPN1 P18031 1/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ELANE P08246 1/20 0.38
NFE2L2 Q16236 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL16504635 0.90 LMNA (0.46) KMT2ALMNAATMALDH1A1KDM4E
SCHEMBL215942 0.82 ELANE (0.44) KMT2ALMNAALDH1A1KDM4EMEN1
SCHEMBL7457988 0.82 ELANE (0.44) KMT2ALMNAALDH1A1KDM4EMEN1
SCHEMBL28914529 0.82 GSK3B (0.48) KMT2ALMNAALDH1A1CYP1A2MEN1
SCHEMBL3120830 0.82 GSK3B (0.48) KMT2ALMNAALDH1A1CYP1A2MEN1
SCHEMBL27768540 0.82 LMNA (0.61) KMT2AMAOBLMNAALDH1A1CYP1A2
SCHEMBL28289708 0.82 FAAH (0.41) KMT2AMAOBLMNACYP1A2FAAH
SCHEMBL3871529 0.82 LMNA (0.43) KMT2AMAOBLMNAATMALDH1A1
SCHEMBL28496913 0.81 CYP11B1 (0.46) KMT2AMAOBLMNACYP1A2HPGD
SCHEMBL165007 0.80 ELANE (0.47) KMT2AATMALDH1A1CYP1A2KDM4E

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-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 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-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R KMT2A 4170/4885MAOB 2962/4885LMNA 2854/4885

“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.