SCHEMBL1212238

SCHEMBL1212238

O=c1cc(CO)c2cc3c4c(c2o1)CCCN4CCC3

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.63
▸ KMT2A Q03164 9/20 0.63
▸ MEN1 O00255 8/20 0.63
▸ KDM4E B2RXH2 8/20 0.63
▸ USP2 O75604 6/20 0.63
▸ MAPT P10636 6/20 0.63
▸ GAA P10253 6/20 0.63
▸ LMNA P02545 6/20 0.63
▸ HPGD P15428 4/20 0.63
▸ HSD17B10 Q99714 4/20 0.63
▸ CASP1 P29466 4/20 0.63
▸ CASP7 P55210 4/20 0.63
▸ TDP1 Q9NUW8 3/20 0.63
▸ GLA P06280 2/20 0.63
▸ ATM Q13315 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ HTT P42858 2/20 0.63
▸ KEAP1 Q14145 1/20 0.63
▸ NFE2L2 Q16236 1/20 0.63
▸ GPR35 Q9HC97 1/20 0.63

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
SCHEMBL903151 0.89 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL1213320 0.88 KMT2A (0.63) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL12892379 0.88 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL14303297 0.88 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL1212937 0.88 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL24623305 0.85 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL3202594 0.85 KMT2A (0.61) ALDH1A1KMT2AMEN1KDM4EUSP2
Hydrochloric Acid SCHEMBL31718750 0.84 KMT2A (0.60) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL13486811 0.82 KMT2A (0.57) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL14303304 0.82 KMT2A (0.60) ALDH1A1KMT2AMEN1KDM4EUSP2

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-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
US-20110045503-A1 The Use of Novel Coumarins as Glutathione and Thiol Labels Life Technologies Corporation (US) 2011-02-24 — — 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 (3 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 341/4885KMT2A 4686/4885MEN1 4693/4885
US-20160334393-A1 Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 ALDH1A1 341/4885KMT2A 4686/4885MEN1 4693/4885
US-20110045503-A1 The Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 ALDH1A1 365/4885KMT2A 4601/4885MEN1 4727/4885

“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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