SCHEMBL21863191

SCHEMBL21863191

c1ccc(N2c3cccc4c3B(c3ccc5c(ccc6ccccc65)c32)c2ccc3c(ccc5c6ccccc6ccc35)c2N4c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
HPRT1 P00492 3/20 0.40
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 5/20 0.34
TSHR P16473 2/20 0.34
CYP2A6 P11509 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
NCF1 P14598 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 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
SCHEMBL21863187 1.00 TDP1 (0.41) TDP1HPRT1ALDH1A1HSD17B10TSHR
SCHEMBL16890524 0.94 ALDH1A1 (0.36) TDP1HPRT1ALDH1A1HSD17B10TSHR
SCHEMBL21863192 0.92 PDE6D (0.39) TDP1HPRT1ALDH1A1HSD17B10TSHR
SCHEMBL24533792 0.90 POLB (0.39) TDP1HPRT1ALDH1A1HSD17B10TSHR
SCHEMBL21863188 0.89 KDM4E (0.38) TDP1HPRT1ALDH1A1HSD17B10TSHR
SCHEMBL21863185 0.89 TDP1 (0.38) TDP1HPRT1ALDH1A1HSD17B10TSHR
SCHEMBL21862886 0.89 TDP1 (0.38) TDP1HPRT1ALDH1A1HSD17B10TSHR
SCHEMBL21862889 0.89 KDM4E (0.38) TDP1HPRT1ALDH1A1HSD17B10TSHR
SCHEMBL21862938 0.89 CYP1A2 (0.40) TDP1HPRT1ALDH1A1HSD17B10CYP1A2
SCHEMBL16890525 0.89 TDP1 (0.33) TDP1HPRT1ALDH1A1HSD17B10TSHR

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-20200098991-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-26 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-20200098991-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE CRY1, CYBA, CRY2 TDP1 1299/4885HPRT1 813/4885ALDH1A1 28/4885

“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.