SCHEMBL3777069

SCHEMBL3777069

O=C(O)CC(=O)CCCCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
OXER1 Q8TDS5 1/20 0.36
LMNA P02545 2/20 0.36
HAO1 Q9UJM8 1/20 0.35
ALOX5 P09917 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
FOLH1 Q04609 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33

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
SCHEMBL11508310 0.86 HAO1 (0.38) LMNAHAO1TSHRNFKB1PMP22
SCHEMBL28017992 0.84 EGLN1 (0.41) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL1648852 0.84 FAAH (0.36) OXER1LMNAALOX5FOLH1MAPT
SCHEMBL866445 0.81 LMNA (0.58) OXER1LMNAALOX5TSHRNFKB1
SCHEMBL9185822 0.81 LMNA (0.53) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL10442027 0.79 TSHR (0.60) LMNATSHRNFKB1PMP22KMT2A
SCHEMBL7813622 0.79 TSHR (0.60) LMNATSHRNFKB1PMP22KMT2A
SCHEMBL8759579 0.79 TSHR (0.60) LMNATSHRNFKB1PMP22KMT2A
SCHEMBL10442148 0.79 TSHR (0.60) LMNATSHRNFKB1PMP22KMT2A
SCHEMBL21850118 0.79 TSHR (0.60) LMNATSHRNFKB1PMP22KMT2A

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
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 EP disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 US disclosed
EP-2216335-A1 TETRIACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2010-08-11 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-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES TBCB, TBC1D15, TBC1D5 KDM4E 3237/4885KDM6B 3008/4885KDM5C 3274/4885

“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.