SCHEMBL21037083

SCHEMBL21037083

CCCc1cc(Br)c2ccc3c(CCC)cc(Br)c4ccc1c2c43

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.40
KDM4E B2RXH2 8/20 0.35
ALDH1A1 P00352 10/20 0.33
HPGD P15428 7/20 0.33
GAA P10253 5/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 3/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH2 P05091 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1B1 P30837 1/20 0.33
ALDH1A3 P47895 1/20 0.33
KMT2A Q03164 3/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ERAP1 Q9NZ08 2/20 0.32
HTR2A P28223 1/20 0.32
GLA P06280 2/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL2815176 0.85 TYR (0.42) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL2814697 0.85 TYR (0.42) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL2813389 0.85 TYR (0.42) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL4585477 0.83 TYR (0.41) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL30320265 0.83 GABRA1 (0.39) HSD17B3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14281968 0.83 GABRA1 (0.39) HSD17B3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2812711 0.77 MAPT (0.36) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL17768931 0.77 ALDH1A1 (0.39) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL26707584 0.74 HMGCR (0.37) HSD17B3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16632779 0.73 GABRA1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240074305-A1 TETRAHYDRONAPHTHALENE-BASED ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-02-29 US disclosed
US-11639339-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-02 US disclosed
US-11639339-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-02 US disclosed
WO-2019101835-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-31 WO 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-11639339-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM HSD17B3 2087/4885KDM4E 3061/4885ALDH1A1 33/4885
US-20240074305-A1 TETRAHYDRONAPHTHALENE-BASED ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE EXOC1, TRPA1, CYBA HSD17B3 724/4885KDM4E 3484/4885ALDH1A1 704/4885

“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.