SCHEMBL6906807

SCHEMBL6906807

CCOc1ccc(F)cc1OCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.38
EGFR P00533 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
POLB P06746 1/20 0.37
CALM1 P0DP23 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37

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
SCHEMBL2523519 0.89 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL12129028 0.83 KDM4E (0.59) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL17527871 0.83 L3MBTL1 (0.40) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5869063 0.81 FFAR1 (0.37) KDM4EMEN1KMT2AFFAR1FFAR4
SCHEMBL18688122 0.80 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL546111 0.79 TDP1 (0.38) L3MBTL1TDP1MEN1KMT2APOLB
SCHEMBL2475470 0.79 MEN1 (0.48) L3MBTL1TDP1MEN1KMT2AFFAR1
SCHEMBL21370219 0.79 GRM5 (0.40) CYP1A2CYP2C19MAPTMEN1KMT2A
SCHEMBL13984178 0.79 MAPT (0.69) L3MBTL1TDP1KDM4EMAPTGAA
SCHEMBL16705731 0.79 CA12 (0.48) KDM4EMAPTGAAKMT2ATSHR

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-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP 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-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E L3MBTL1 1445/4885CYP1A2 2551/4885CYP2D6 2348/4885

“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.