SCHEMBL21396583

SCHEMBL21396583

Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c(-c2cccc(-n3c4ccccc4c4cccnc43)c2)c1-n1c2ccccc2c2cc(C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
ELANE P08246 4/20 0.34
PDE10A Q9Y233 3/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
S1PR4 O95977 1/20 0.32
GLA P06280 1/20 0.32
S1PR1 P21453 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
SCHEMBL21396868 1.00 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19ELANEPDE10A
SCHEMBL21396873 0.93 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21397113 0.91 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19ELANEPDE10A
SCHEMBL21396598 0.91 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19ELANEPDE10A
SCHEMBL21396607 0.91 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21378086 0.90 PTGDR2 (0.36) ALDH1A1CYP2C19ELANECYP11B2KDM4E
SCHEMBL21378010 0.89 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21396833 0.89 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21378012 0.89 PTGDR2 (0.36) ALDH1A1CYP2C19ELANECYP11B2KDM4E
SCHEMBL21396582 0.87 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2KDM4E

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 ALDH1A1 242/4885TSHR 4805/4885CYP2C19 795/4885

“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.