SCHEMBL6766062

SCHEMBL6766062

CC1(C)COc2c(I)cc(I)c(O)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALB P02768 1/20 0.31
KDM4E B2RXH2 3/20 0.30
MAPT P10636 3/20 0.30
HPGD P15428 3/20 0.30
RECQL P46063 3/20 0.30
TDP1 Q9NUW8 3/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 2/20 0.30
G6PD P11413 2/20 0.30
HSD17B10 Q99714 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
MAPK1 P28482 2/20 0.30
NSD2 O96028 1/20 0.30

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
SCHEMBL2745453 0.76 ALOX5 (0.30) PTGS1PTGS2
SCHEMBL1764329 0.71 HTR1A (0.33) PTGS1PTGS2HPGDRECQLTDP1
SCHEMBL694320 0.68 PTGS2 (0.36) TTRPTGS1PTGS2
SCHEMBL9900562 0.62 ESR1 (0.34) MEN1KMT2APTGS1PTGS2KDM4E
SCHEMBL15011718 0.61 HTR1A (0.36) MEN1KMT2APTGS1PTGS2KDM4E
SCHEMBL21581562 0.59 KDM4E (0.33) PTGS1PTGS2KDM4EHPGDALDH1A1
SCHEMBL24984959 0.58 TTR (0.36) TTRALB
SCHEMBL24604233 0.57 TTR (0.35) TTRMEN1KMT2ALMNAHTT
SCHEMBL1764717 0.57 CNR1 (0.34) LMNAHPGDRECQLTDP1ALDH1A1
SCHEMBL8439198 0.57 TTR (0.58) TTRMEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 TTR 3045/4885MEN1 4155/4885KMT2A 2766/4885

“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.