SCHEMBL1962464

SCHEMBL1962464

CCOC(=O)c1cccc(Br)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 2/20 0.50
CDC25B P30305 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 3/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
F2R P25116 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
KMT2A Q03164 2/20 0.43
CLEC4M Q9H2X3 1/20 0.43

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
SCHEMBL4626397 0.90 TSHR (0.61) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL11521675 0.88 TSHR (0.68) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL28652440 0.87 CA12 (0.54) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL29480937 0.86 TSHR (0.56) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL10353071 0.85 TSHR (0.63) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL1424504 0.83 TSHR (0.61) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL29480920 0.83 TSHR (0.53) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL11237854 0.83 CA12 (0.66) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL1097855 0.82 CA12 (0.71) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL4628669 0.82 TSHR (0.51) TSHRALDH1A1HSD17B10CDC25BCA12

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-108017606-B Compound and organic electroluminescent element containing same 株式会社LG化学 2021-07-20 CN disclosed
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 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-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 TSHR 3814/4885ALDH1A1 1081/4885HSD17B10 1214/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 TSHR 3814/4885ALDH1A1 1081/4885HSD17B10 1214/4885

“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.