SCHEMBL4548612

SCHEMBL4548612

CC(C)(C)c1ccc2c(C(C)(C)C)nccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.44
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1I2 O75469 1/20 0.40
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
KIF11 P52732 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
METAP2 P50579 1/20 0.34
FGFR2 P21802 1/20 0.33
ALOX5AP P20292 1/20 0.33
GAK O14976 1/20 0.33
RIPK2 O43353 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
SCHEMBL803133 0.81 CYP2A6 (0.50) TSHRNR1I2KIF11ALDH1A1HPGD
SCHEMBL13819031 0.81 GRM4 (0.44) GRM4CYP3A4TSHRCYP2C19ALDH1A1
SCHEMBL9880937 0.80 ALOX5AP (0.39) CYP3A4TSHRCYP2C19NR1I2KIF11
SCHEMBL1690357 0.80 ROCK1 (0.53) NR1I2ALDH1A1ALOX5AP
SCHEMBL9880933 0.80 LMNA (0.40) GRM4CYP3A4CYP2C19NR1I2KIF11
SCHEMBL9880928 0.80 ALDH1A1 (0.42) CYP3A4TSHRCYP2C19NR1I2KIF11
SCHEMBL25022035 0.77 GRM4 (0.41) GRM4CYP3A4TSHRCYP2C19CFTR
SCHEMBL13084187 0.77 NR1I2 (0.37) GRM4NR1I2KIF11ALDH1A1HPGD
SCHEMBL2608440 0.77 TRPA1 (0.48) GRM4CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL9880927 0.77 TRPA1 (0.42) GRM4CYP3A4CYP2C19NR1I2KIF11

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-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET GRM4 2925/4885CYP3A4 348/4885TSHR 3003/4885

“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.