SCHEMBL903151

SCHEMBL903151

CCc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.68
▸ KDM4E B2RXH2 11/20 0.68
▸ KMT2A Q03164 9/20 0.68
▸ GAA P10253 9/20 0.68
▸ MEN1 O00255 8/20 0.68
▸ MAPT P10636 7/20 0.68
▸ HPGD P15428 7/20 0.68
▸ USP2 O75604 5/20 0.68
▸ LMNA P02545 5/20 0.68
▸ GLA P06280 5/20 0.68
▸ HSD17B10 Q99714 4/20 0.68
▸ CASP1 P29466 4/20 0.68
▸ CASP7 P55210 4/20 0.68
▸ ATM Q13315 2/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ TDP1 Q9NUW8 3/20 0.65
▸ HTT P42858 2/20 0.65
▸ KEAP1 Q14145 1/20 0.65
▸ NFE2L2 Q16236 1/20 0.65
▸ GPR35 Q9HC97 1/20 0.65

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
SCHEMBL24623305 0.91 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL1213320 0.89 KMT2A (0.63) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL14303297 0.89 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL1212238 0.89 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL1212937 0.89 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL12892379 0.89 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL3202594 0.86 KMT2A (0.61) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL14303302 0.86 KMT2A (0.67) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL14303304 0.86 KMT2A (0.60) ALDH1A1KDM4EKMT2AGAAMEN1
Hydrochloric Acid SCHEMBL31718750 0.85 KMT2A (0.60) ALDH1A1KDM4EKMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160334393-A1 Use of Novel Coumarins as Glutathione and Thiol Labels Life Technologies Corporation 2016-11-17 — — US disclosed
US-20150219634-A1 Use of Novel Coumarins as Glutathione and Thiol Labels LIFE TECHNOLOGIES CORP (US) 2015-08-06 — — US disclosed
US-8981100-B2 Use of novel coumarins as glutathione and thiol labels Life Technologies Corporation (US) 2015-03-17 — — US disclosed
WO-2012041851-A1 SECURITY ELEMENT BASF SE (DE) 2012-04-05 — — WO disclosed
US-20110045503-A1 The Use of Novel Coumarins as Glutathione and Thiol Labels Life Technologies Corporation (US) 2011-02-24 — — US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — 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 (4 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-20150219634-A1 Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 ALDH1A1 341/4885KDM4E 4664/4885KMT2A 4686/4885
US-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 ALDH1A1 18/4885KDM4E 2592/4885KMT2A 3808/4885
US-20160334393-A1 Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 ALDH1A1 341/4885KDM4E 4664/4885KMT2A 4686/4885
US-20110045503-A1 The Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 ALDH1A1 365/4885KDM4E 4635/4885KMT2A 4601/4885

“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.

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