SCHEMBL4964080

SCHEMBL4964080

CCCCOCCOCc1cn(Cc2ccc(F)cc2)c2cnc3c(=O)n(O)ccc3c12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
PPARD Q03181 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 2/20 0.33
FSCN1 Q16658 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
POLB P06746 2/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
CYP19A1 P11511 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
FAAH O00519 1/20 0.31
MAPT P10636 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
SCHEMBL14395137 0.93 THRB (0.35) THRBPPARDKDM4EALDH1A1FSCN1
SCHEMBL3497320 0.91 KDM4E (0.35) THRBPPARDKDM4EALDH1A1FSCN1
SCHEMBL5426029 0.88 SMN1; SMN2 (0.38) PPARDKDM4EALDH1A1POLBCYP19A1
SCHEMBL3494327 0.85 RXFP1 (0.36) KDM4EALDH1A1PDE1APDE1BPDE1C
SCHEMBL14506516 0.83 RXFP1 (0.34) PDE1APDE1BPDE1C
SCHEMBL3496814 0.83 HTT (0.39) KDM4EALDH1A1POLBCYP19A1MEN1
SCHEMBL3495893 0.82 CYP19A1 (0.32) THRBPPARDKDM4EALDH1A1PDE4A
SCHEMBL4964868 0.82 CYP19A1 (0.39) THRBKDM4EALDH1A1POLBCYP19A1
SCHEMBL3495823 0.82 MCHR1 (0.36) KDM4EALDH1A1POLBPDE1APDE1B
SCHEMBL3495650 0.82 PLA2G7 (0.35) THRBKDM4EALDH1A1POLBCYP19A1

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
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP THRB 3656/4885PPARD 3557/4885KDM4E 821/4885

“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.