SCHEMBL4110100

SCHEMBL4110100

CCc1nn(C(CC)C(=O)O)c(CC)c1Oc1cc(C)c(C#N)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GRIA2 P42262 5/20 0.33
GRIA4 P48058 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PGR P06401 4/20 0.33
HPGD P15428 3/20 0.32
USP2 O75604 1/20 0.32
KCNH2 Q12809 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4115188 0.85 PGR (0.47) ALDH1A1KDM4EGRIA2GRIA4SMN1; SMN2
SCHEMBL509687 0.82 MGLL (0.38) GRIA2GRIA4PGRKCNH2
SCHEMBL4099456 0.81 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1
SCHEMBL4959656 0.81 PTGDR2 (0.42) ALDH1A1KDM4EGRIA2GRIA4PGR
SCHEMBL4099713 0.77 PGR (0.42) ALDH1A1KDM4EPGRHPGDUSP2
SCHEMBL4098727 0.76 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2PGRHPGD
SCHEMBL4110055 0.76 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2PGRHPGD
SCHEMBL4104516 0.76 KCNH2 (0.36) ALDH1A1KDM4ESMN1; SMN2USP2KCNH2
SCHEMBL4102883 0.76 PGR (0.44) ALDH1A1KDM4ESMN1; SMN2PGRKCNH2
SCHEMBL4112540 0.76 PGR (0.38) ALDH1A1KDM4ESMN1; SMN2PGRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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 (2 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 ALDH1A1 881/4885KDM4E 3328/4885GRIA2 3937/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 ALDH1A1 974/4885KDM4E 3493/4885GRIA2 4061/4885

“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.