SCHEMBL21937532

SCHEMBL21937532

CC(C)C(=O)c1cc(C(=O)O)ccc1CCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
ACE2 Q9BYF1 4/20 0.41
HMGB1 P09429 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
PLA2G4A P47712 2/20 0.38
KDM4E B2RXH2 2/20 0.38
DBH P09172 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
GRM1 Q13255 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL21937531 0.88 HTR7 (0.48) HTR7ACE2HMGB1GRIN2DGRIN2A
SCHEMBL21937348 0.87 ACE2 (0.43) HTR7ACE2GRIN2DGRIN2AGRIN2B
SCHEMBL17059420 0.84 HTR7 (0.50) HTR7ACE2HMGB1KDM4EGAA
SCHEMBL27622429 0.78 HTR7 (0.57) HTR7ACE2HMGB1KDM4EGAA
SCHEMBL17058836 0.78 ACE2 (0.43) HTR7ACE2GRIN2DGRIN2AGRIN2B
SCHEMBL27721128 0.77 ACE2 (0.40) ACE2PLA2G4AKDM4EDBHGAA
SCHEMBL3708071 0.77 HTR7 (0.53) HTR7HMGB1KDM4EGAAHTR1A
SCHEMBL12377747 0.76 ACE2 (0.51) ACE2KDM4EDBHGAARECQL
Hydrochloric Acid SCHEMBL12499459 0.76 HTR7 (0.51) HTR7HMGB1KDM4EGAAHTR1A
SCHEMBL3649295 0.75 HTR7 (0.54) HTR7HMGB1KDM4EGAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS Han, Jie (US) 2020-09-17 US disclosed
US-10626156-B2 Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs Han, Jie (US) 2020-04-21 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 (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-10626156-B2 Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs NOS2, EGLN2, HPGD HTR7 427/4885ACE2 1462/4885HMGB1 535/4885
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD HTR7 427/4885ACE2 1462/4885HMGB1 535/4885

“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.