SCHEMBL22228583

SCHEMBL22228583

c1ccc2c(c1)ccc1c2ccc2c3ccccc3c3ccc4occc4c3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.52
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
CYP2A6 P11509 1/20 0.44
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 2/20 0.41
FTO Q9C0B1 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
ERBB2 P04626 1/20 0.40

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
SCHEMBL31741279 0.95 HPRT1 (0.50) HPRT1HSD17B10ALDH1A1TDP1TSHR
SCHEMBL28776994 0.91 L3MBTL1 (0.51) HPRT1HSD17B10ALDH1A1TDP1TSHR
SCHEMBL6237203 0.90 HPRT1 (0.58) HPRT1HSD17B10ALDH1A1TDP1TSHR
SCHEMBL31275223 0.90 HPRT1 (0.58) HPRT1HSD17B10ALDH1A1TDP1TSHR
SCHEMBL420462 0.86 ALDH1A1 (0.55) HPRT1HSD17B10ALDH1A1TDP1TSHR
SCHEMBL30716378 0.86 ALDH1A1 (0.55) HPRT1HSD17B10ALDH1A1TDP1TSHR
SCHEMBL9003050 0.86 MAOA (0.48) HPRT1HSD17B10ALDH1A1TDP1TSHR
SCHEMBL1866520 0.85 MTNR1A (0.48) HPRT1HSD17B10ALDH1A1TDP1TSHR
SCHEMBL30423508 0.85 MTNR1A (0.48) HPRT1HSD17B10ALDH1A1TDP1TSHR
SCHEMBL27810763 0.84 ALDH1A1 (0.52) HPRT1HSD17B10ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11276828-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-03-15 US disclosed
US-20200235315-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-23 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 (2 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-20200235315-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TRPA1, PIEZO1, SLCO4C1 HPRT1 989/4885HSD17B10 2572/4885ALDH1A1 1276/4885
US-11276828-B2 Organic compound and organic electroluminescence device using the same TRPA1, PIEZO1, SLCO4C1 HPRT1 989/4885HSD17B10 2572/4885ALDH1A1 1276/4885

“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.