SCHEMBL19296166

SCHEMBL19296166

CC(=O)[C@H](Cc1c[nH]c2ccccc12)NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
APAF1 O14727 1/20 0.63
POLB P06746 1/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALOX15 P16050 1/20 0.63
MMP9 P14780 3/20 0.59
MMP8 P22894 3/20 0.59
MMP14 P50281 1/20 0.59
ECE1 P42892 5/20 0.59
ACE P12821 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
ITGB2 P05107 1/20 0.56
ICAM1 P05362 1/20 0.56
ITGAL P20701 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL14595060 1.00 KDM4E (0.63) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL26312404 0.89 ALOX15 (0.63) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL12950374 0.89 ALOX15 (0.63) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL13233981 0.89 ALOX15 (0.63) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL9026907 0.89 ECE1 (0.65) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL16656706 0.89 ALOX15 (0.63) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL13176572 0.87 TACR1 (0.67) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL5747459 0.87 TACR1 (0.67) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL170877 0.87 KDM4E (0.69) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL170878 0.87 KDM4E (0.69) KDM4EMAPTAPAF1POLBRECQL

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-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS UNIV NEW YORK (US) 2017-08-31 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-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 KDM4E 1733/4885MAPT 4097/4885APAF1 2349/4885

“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.