SCHEMBL14446924

SCHEMBL14446924

CCC(C)(C#N)Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ESR1 P03372 3/20 0.39
▸ ESR2 Q92731 3/20 0.39
▸ RIPK1 Q13546 2/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ TAAR1 Q96RJ0 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CASR P41180 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GFER P55789 1/20 0.33

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
SCHEMBL31118127 0.81 SLC6A2 (0.47) ESR1ESR2RIPK1LMNATAAR1
SCHEMBL22728291 0.79 LMNA (0.37) KDM4EESR1ESR2RIPK1DPP4
SCHEMBL3160096 0.79 ESR1 (0.42) KDM4EESR1ESR2DPP4LMNA
SCHEMBL14376105 0.76 LOXL2 (0.40) ESR1ESR2DPP4IDO1LOXL2
SCHEMBL11567690 0.76 ESR1 (0.40) KDM4EESR1ESR2DPP4LMNA
SCHEMBL22728313 0.74 KDM4E (0.39) KDM4EESR1ESR2RIPK1DPP4
SCHEMBL19445303 0.74 KDM4E (0.44) KDM4EESR1ESR2RIPK1LMNA
SCHEMBL22728319 0.74 TRPA1 (0.35) KDM4EESR1ESR2RIPK1DPP4
SCHEMBL22728387 0.74 TRPA1 (0.35) KDM4EESR1ESR2RIPK1DPP4
SCHEMBL13271144 0.73 TAAR1 (0.40) KDM4EESR1ESR2DPP4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 — — US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 — — 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 (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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D KDM4E 200/4885ESR1 1298/4885ESR2 770/4885

“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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