SCHEMBL4110055

SCHEMBL4110055

CCC(C(=O)O)n1nc(C)c(Oc2cc(C)c(C#N)c(C)c2)c1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 6/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 2/20 0.34
NPSR1 Q6W5P4 3/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
HPGD P15428 4/20 0.31
MAPK1 P28482 3/20 0.31
HSD17B10 Q99714 3/20 0.31
FFAR4 Q5NUL3 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTT P42858 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 2/20 0.30

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
SCHEMBL4104393 0.91 KDM4E (0.34) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4098007 0.88 MRGPRX4 (0.37) PGRFFAR4
SCHEMBL4104942 0.87 PGR (0.47) KDM4EPGR
SCHEMBL4099456 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4098727 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4100044 0.81 PGR (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4114375 0.80 MRGPRX4 (0.36) PGRSMN1; SMN2FFAR4
SCHEMBL13889225 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4104136 0.78 LMNA (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4963363 0.77 ALDH1A1 (0.32) ALDH1A1KDM4EMEN1LMNAKMT2A

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 3328/4885MEN1 2554/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 ALDH1A1 974/4885KDM4E 3493/4885MEN1 2898/4885

“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.