SCHEMBL16978115

SCHEMBL16978115

C=C1C=C(COS(=O)(=O)c2ccc(C)cc2)c2cc3c4c(c2O1)CCCN4CCC3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ USP2 O75604 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RECQL P46063 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ CYP2C19 P33261 2/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ HPGD P15428 2/20 0.30
▸ HSD17B10 Q99714 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL16572446 0.78 KMT2A (0.36) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL12879438 0.76 KMT2A (0.36) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL12879436 0.76 KMT2A (0.36) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL14325927 0.76 KMT2A (0.43) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL15187872 0.74 KMT2A (0.38) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL13484140 0.74 KMT2A (0.38) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL13484108 0.74 KMT2A (0.33) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL14325928 0.74 KMT2A (0.36) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL12879442 0.70 KMT2A (0.53) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL14413591 0.67 KMT2A (0.42) ALDH1A1MEN1KMT2AKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150219634-A1 Use of Novel Coumarins as Glutathione and Thiol Labels LIFE TECHNOLOGIES CORP (US) 2015-08-06 — — 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 (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-20150219634-A1 Use of Novel Coumarins as Glutathione and Thiol Labels GSTP1, GSTK1, GSTA1 ALDH1A1 341/4885MEN1 4693/4885KMT2A 4686/4885

“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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