SCHEMBL19798784

SCHEMBL19798784

CC(C)(C)c1ccc(C(C)(C)C)c2c1=NCN=2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
MIF P14174 1/20 0.30
TYR P14679 1/20 0.30
HTT P42858 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13145525 0.78 CA2 (0.40) CA2ALDH1A1TSHRTDP1
SCHEMBL8737183 0.65
SCHEMBL11674582 0.64 CA2 (0.43) CA2ALDH1A1TSHRTDP1ALOX15
SCHEMBL12611143 0.63 MAPT (0.35) CA2ALDH1A1TSHRTDP1ALOX15
SCHEMBL812457 0.63 NOS3 (0.36) TSHRCYP1A2MAPT
SCHEMBL20087061 0.62
SCHEMBL17154859 0.62 TSHR (0.35) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL20087066 0.62
SCHEMBL11955219 0.62 SSTR4 (0.41) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL7136409 0.61 CA2 (0.41) CA2ALDH1A1TSHRTDP1ALOX15

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-20180026200-A1 HETEROCYCLIC COMPOUND AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2018-01-25 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-20180026200-A1 HETEROCYCLIC COMPOUND AND ORGANIC SOLAR CELL COMPRISING SAME SUN2, CRY1, STOM CA2 528/4885ALDH1A1 1159/4885TSHR 4584/4885

“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.