SCHEMBL16449989

SCHEMBL16449989

CC(C)(C)c1ccc2c(c1)cc(C(C)(C)C)n2C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
NR1I2 O75469 2/20 0.38
ALDH1A1 P00352 3/20 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
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1D P28221 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL12745353 0.79 KCNH2 (0.49) KCNH2NR1I2ALDH1A1HPGDALOX15
SCHEMBL7638728 0.77 HDAC10 (0.40) ALDH1A1HPGDCYP1A2CYP2C19MEN1
SCHEMBL19421846 0.74 HTR1D (0.45) KCNH2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL22792804 0.71 ALOX5AP (0.35) CYP1A2CYP2C19MEN1MAPTKMT2A
SCHEMBL19383347 0.68 KIF11 (0.40) KCNH2NR1I2ALDH1A1HPGDALOX15
SCHEMBL10152400 0.68 KCNH2 (0.53) KCNH2NR1I2ALDH1A1HPGDALOX15
SCHEMBL20618778 0.68 KCNH2 (0.41) KCNH2NR1I2ALDH1A1HPGDALOX15
SCHEMBL16449988 0.68 KDM4E (0.31) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL22792805 0.68 MAPT (0.37) KCNH2MAPT
SCHEMBL16449990 0.68 ALOX5AP (0.35) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045551-A1 FUSED AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 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-20150045551-A1 FUSED AZOLE DERIVATIVE AVPR1B, AVPR1A, GRIN2B KCNH2 3136/4885NR1I2 207/4885ALDH1A1 1108/4885

“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.