SCHEMBL1477925

SCHEMBL1477925

CCOC(=O)C1C2CCCc3ccccc3C21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.45
XBP1 P17861 1/20 0.45
FFAR1 O14842 1/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
BLM P54132 1/20 0.40

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
SCHEMBL12749381 1.00 HPGD (0.49) HPGDALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL4467918 0.92 CYP1A2 (0.48) HPGDALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL12749374 0.92 CYP1A2 (0.48) HPGDALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL13591320 0.92 CYP1A2 (0.48) HPGDALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL1477579 0.92 CYP1A2 (0.48) HPGDALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL23020647 0.92 CYP1A2 (0.48) HPGDALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL12749371 0.83 TSHR (0.50) TSHRCYP1A2CYP2C19KDM4EMAPT
SCHEMBL1477389 0.83 TSHR (0.50) TSHRCYP1A2CYP2C19KDM4EMAPT
SCHEMBL22209851 0.83 TSHR (0.50) TSHRCYP1A2CYP2C19KDM4EMAPT
SCHEMBL30280677 0.83 TSHR (0.50) TSHRCYP1A2CYP2C19KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915295-B2 Viricides; HIV antivirals effective against problematic drug escape mutants; N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-[5-(4-(sulfonamido)phenoxy)-2-pyridinyl]urea MEDIVIR AB (SE) 2011-03-29 US disclosed
EP-1701942-B1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2009-12-09 EP disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
US-6610714-B2 HIV viricides MEDIVIR AB (SE) 2003-08-26 US disclosed
US-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2003-05-15 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 (3 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-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SUB1, HCFC1, CCR1 HPGD 2296/4885ALDH1A1 848/4885TSHR 2282/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E HPGD 2626/4885ALDH1A1 2705/4885TSHR 1578/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A HPGD 2806/4885ALDH1A1 2075/4885TSHR 367/4885

“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.