SCHEMBL5096210

SCHEMBL5096210

CCOC(=O)c1ccccc1-c1ccccc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK10 P53779 1/20 0.51
KMT2A Q03164 1/20 0.51
PTK2B Q14289 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
ALOX5 P09917 3/20 0.48
KDM4E B2RXH2 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL29617021 0.89 TSHR (0.80) TSHRALDH1A1HSD17B10MEN1USP2
SCHEMBL3683272 0.89 TSHR (0.80) TSHRALDH1A1HSD17B10MEN1USP2
SCHEMBL5096204 0.86 TSHR (0.51) TSHRALDH1A1HSD17B10MEN1USP2
SCHEMBL408906 0.86 TSHR (0.74) TSHRALDH1A1HSD17B10MAPTKMT2A
SCHEMBL28454296 0.84 TSHR (0.57) TSHRALDH1A1HSD17B10MEN1USP2
SCHEMBL28628629 0.84 TSHR (0.71) TSHRALDH1A1HSD17B10MAPTKMT2A
Bromide SCHEMBL15544606 0.84 TSHR (0.71) TSHRALDH1A1HSD17B10MAPTKMT2A
SCHEMBL8075091 0.83 TSHR (0.69) TSHRALDH1A1HSD17B10MEN1USP2
SCHEMBL5572323 0.83 TSHR (0.69) TSHRALDH1A1HSD17B10MEN1USP2
SCHEMBL3950053 0.83 TSHR (0.69) TSHRALDH1A1HSD17B10MEN1USP2

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
CN-114702394-A Spiro compound, preparation method thereof, hole transport material and light emitting device 京东方科技集团股份有限公司 2022-07-05 CN disclosed
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20060235057-A1 Phenyl compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1556330-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004039753-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-13 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 (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-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 TSHR 213/4885ALDH1A1 1584/4885HSD17B10 3180/4885

“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.