SCHEMBL4696349

SCHEMBL4696349

CC(=O)N(c1ccccc1)c1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 8/20 0.56
ALDH1A1 P00352 6/20 0.56
GLA P06280 5/20 0.56
HPGD P15428 3/20 0.56
CASP1 P29466 3/20 0.56
CASP7 P55210 3/20 0.56
HSD17B10 Q99714 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
ATM Q13315 1/20 0.56
HIF1A Q16665 1/20 0.56
KDM4E B2RXH2 4/20 0.52
GAA P10253 4/20 0.52
MAPT P10636 1/20 0.52
NPBWR1 P48145 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 5/20 0.51
CA9 Q16790 5/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL3081893 0.83 AR (0.57) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL29349950 0.82 IGLV6-57 (0.67) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL3834472 0.82 IGLV6-57 (0.67) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL10337820 0.77 ALDH1A1 (0.68) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL11228165 0.76 IGLV6-57 (0.60) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL67970 0.75 IGLV6-57 (0.72) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL29401382 0.75 IGLV6-57 (0.72) IGLV6-57ALDH1A1GLAHPGDCASP1
Acetic Acid SCHEMBL28045465 0.75 MAOA (0.64) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL14295755 0.75 MMP12 (0.44) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL19988139 0.75 ALDH1A1 (0.57) IGLV6-57ALDH1A1GLAHPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160517-B1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE LYON (FR) 2024-06-12 EP disclosed
CN-106470977-B Water-soluble activatable molecular probe, synthetic intermediate thereof and related detection method 里昂高等师范学院 2021-07-09 CN disclosed
US-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods ECOLE NORMALE SUPERIEURE DE LYON (FR) 2019-01-15 US disclosed
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-08 US disclosed
US-8754179-B2 Light activated shape memory co-polymers CORNERSTONE RESEARCH GROUP, INC. (US) 2014-06-17 US disclosed
US-20080021166-A1 Light Activated Shape Memory Co-Polymers GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2008-01-24 US disclosed
EP-1799771-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-06-27 EP disclosed
WO-2007001407-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-01-04 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-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods SI, GUSB, ABCG2 IGLV6-57 247/4885ALDH1A1 426/4885GLA 51/4885
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS SI, GUSB, ABCG2 IGLV6-57 247/4885ALDH1A1 426/4885GLA 51/4885

“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.