SCHEMBL21937348

SCHEMBL21937348

CC(C)C(=O)c1cc(C(=O)O)ccc1CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.43
KDM4E B2RXH2 4/20 0.40
GAA P10253 2/20 0.40
DBH P09172 1/20 0.40
RECQL P46063 1/20 0.40
GRM1 Q13255 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
PLEC Q15149 1/20 0.37
HTR7 P34969 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37

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
SCHEMBL21937532 0.87 HTR7 (0.48) ACE2KDM4EGAADBHRECQL
SCHEMBL17058836 0.87 ACE2 (0.43) ACE2KDM4EGAADBHRECQL
SCHEMBL2818924 0.84 KDM4E (0.47) ACE2KDM4EGAATDP1ALDH1A1
SCHEMBL17059386 0.83 AKR1C3 (0.41) ACE2KDM4EGAAALDH1A1MAPT
SCHEMBL27721128 0.80 ACE2 (0.40) ACE2KDM4EGAADBHRECQL
SCHEMBL12377747 0.79 ACE2 (0.51) ACE2KDM4EGAADBHRECQL
SCHEMBL21937531 0.78 HTR7 (0.48) ACE2KDM4EGAADBHRECQL
SCHEMBL27283211 0.76 TSHR (0.46) ACE2KDM4EGAAALDH1A1MAPT
SCHEMBL20135164 0.75 GRM1 (0.50) ACE2KDM4EGAADBHRECQL
SCHEMBL27768197 0.75 ALDH1A1 (0.48) ACE2KDM4EGAAMEN1CYP1A2

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-11285103-B2 Degradable hydrogel under physiological conditions HAN JIE (CN) 2022-03-29 US disclosed
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS Han, Jie (US) 2020-09-17 US disclosed
US-20200268658-A1 Degradable hydrogel under physiological conditions HAN JIE (CN) 2020-08-27 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 (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-20200268658-A1 Degradable hydrogel under physiological conditions PTMS, TRHDE, PHYKPL ACE2 2928/4885KDM4E 2523/4885GAA 654/4885
US-11285103-B2 Degradable hydrogel under physiological conditions PTMS, TRHDE, PHYKPL ACE2 2928/4885KDM4E 2523/4885GAA 654/4885
US-10626156-B2 Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs NOS2, EGLN2, HPGD ACE2 1462/4885KDM4E 1589/4885GAA 942/4885
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD ACE2 1462/4885KDM4E 1589/4885GAA 942/4885

“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.