SCHEMBL21297989

SCHEMBL21297989

C=c1ncc2cccc3ccc(C)c1c32

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 5/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP2A6 P11509 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
TNNI3 P19429 1/20 0.32
CYP2C19 P33261 1/20 0.32
TNNT2 P45379 1/20 0.32
TNNC1 P63316 1/20 0.32
RUNX1 Q01196 1/20 0.32

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
SCHEMBL21297950 0.85 ALDH1A1 (0.31) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL21297986 0.81 CYP1A2 (0.36) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL21297979 0.79 CYP1A2 (0.38) ALDH1A1HPGDTDP1CYP1A2CYP2A6
SCHEMBL21297933 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL21297928 0.75 SMN1; SMN2 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL21297988 0.74 ALDH1A1 (0.41) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL21297998 0.71 ALDH1A1 (0.40) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL4647758 0.67 CYP1A2 (0.59) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL5466768 0.67 CYP1A2 (0.52) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL29580557 0.67 CYP1A2 (0.52) ALDH1A1HPGDTSHRHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS UNIV ARIZONA STATE (US) 2023-06-22 US disclosed
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS UNIV ARIZONA STATE (US) 2023-06-22 US disclosed
US-10851106-B2 Substituted benzo[4,5]imidazo[1,2-F]phenanthridines, dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzofurophenanthridines and dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzo[4,5]thienophenanthridines as thermally assisted delayed fluorescent materials ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-12-01 US disclosed
US-20200071330-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS UNITED STATES DEPARTMENT OF ENERGY 2020-03-05 US disclosed
US-10392387-B2 Substituted benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,8]naphthyridines, benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,5]naphthyridines and dibenzo[f,h]benzo[4,5]imidazo[2,1-a]pyrazino[2,3-c]isoquinolines as thermally assisted delayed fluorescent materials ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-08-27 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 (4 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-20200071330-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS ALDH1A1 2839/4885HPGD 1924/4885TSHR 4549/4885
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS ALDH1A1 2839/4885HPGD 1924/4885TSHR 4549/4885
US-10851106-B2 Substituted benzo[4,5]imidazo[1,2-F]phenanthridines, dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzofurophenanthridines and dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzo[4,5]thienophenanthridines as thermally assisted delayed fluorescent materials KCNK4, TRPC4, TBRG4 ALDH1A1 566/4885HPGD 2166/4885TSHR 2727/4885
US-10392387-B2 Substituted benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,8]naphthyridines, benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,5]naphthyridines and dibenzo[f,h]benzo[4,5]imidazo[2,1-a]pyrazino[2,3-c]isoquinolines as thermally assisted delayed fluorescent materials NT5C, HTR3D, IK ALDH1A1 326/4885HPGD 1744/4885TSHR 3892/4885

“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.