SCHEMBL15042944

SCHEMBL15042944

CC(C)c1ccc2c(ccc3[nH]c(C(C)C)nc32)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.33
PARP1 P09874 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
DHFR P00374 1/20 0.31
SLC2A1 P11166 1/20 0.31
ALOX15 P16050 1/20 0.31
PARG Q86W56 1/20 0.31
MLKL Q8NB16 1/20 0.31
USP2 O75604 1/20 0.30
HTT P42858 1/20 0.30
ADORA3 P0DMS8 2/20 0.30
ADORA2A P29274 2/20 0.30
ADORA1 P30542 2/20 0.30
ADORA2B P29275 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
SCHEMBL19485892 0.84 ALDH1A1 (0.39) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL12294459 0.78 KDM4E (0.39) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL10118778 0.73 HSD17B10 (0.43) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL23105407 0.72 RAB9A (0.57) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL2707217 0.72 KIF11 (0.41) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL18463009 0.72 CYP1A2 (0.42) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL15042886 0.72 DHFR (0.52) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL798830 0.69 KDM4E (0.43) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL15429843 0.69 HSD17B10 (0.42) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL17973038 0.69 KIF11 (0.39) HSD17B10KDM4ELMNAALDH1A1HPGD

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
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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 (2 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 HSD17B10 230/4885KDM4E 2635/4885LMNA 1245/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L HSD17B10 615/4885KDM4E 2910/4885LMNA 705/4885

“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.