SCHEMBL4731399

SCHEMBL4731399

CC(=O)C(Oc1cc(C)c(C#N)c(C)c1)C(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 7/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
GLA P06280 1/20 0.32
UPP1 Q16831 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4924063 0.95 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL4733988 0.93 KDM4E (0.40) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL5156175 0.83 MGLL (0.34) ALDH1A1MAPTTSHRNPC1RAB9A
SCHEMBL14224841 0.83 GAA (0.32) TDP1KMT2ASMN1; SMN2HTTGAA
SCHEMBL14224631 0.80 TDP1 (0.34) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL509178 0.74 MGLL (0.34) NPC1RAB9A
SCHEMBL4098513 0.70 NPC1 (0.52) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL20152466 0.69 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL1927578 0.69 TDP1 (0.60) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL14022357 0.68 KDM4E (0.32) ALDH1A1KDM4ETDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 US disclosed
WO-2008047224-A1 PYRAZOLYL-4-OXY-BENZONITRILE DERIVATIVES USEFUL IN TREATING ENDOMETRIOSIS PFIZER LIMITED (GB) 2008-04-24 WO disclosed
WO-2008047224-A1 PYRAZOLYL-4-OXY-BENZONITRILE DERIVATIVES USEFUL IN TREATING ENDOMETRIOSIS PFIZER LIMITED (GB) 2008-04-24 WO disclosed
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 US disclosed
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 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-20080096950-A1 Compounds Useful In Therapy CYP19A1, LPXN, HSD17B11 ALDH1A1 93/4885KDM4E 2193/4885TDP1 2204/4885

“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.