SCHEMBL22639459

SCHEMBL22639459

NC1(C(=O)O)CC/C=C\CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.38
GRM4 Q14833 9/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 3/20 0.35
ALOX15 P16050 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GRM8 O00222 2/20 0.35
GRM6 O15303 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GRM2 Q14416 3/20 0.35
GRM3 Q14832 3/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.35
MTOR P42345 1/20 0.35
GRM1 Q13255 1/20 0.35

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
SCHEMBL8584201 0.91 NSD2 (0.44) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL20581197 0.80 NSD2 (0.39) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL6713545 0.80 NSD2 (0.39) NSD2GRM4CYP1A2CYP2C19ALOX15
Cycloleucine SCHEMBL21462057 0.78 NSD2 (0.50) NSD2GRM4CYP1A2CYP2C19ALOX15
1-Aminocyclobutane Carboxylic Acid SCHEMBL61734 0.78
Cycloleucine SCHEMBL8495 0.78
SCHEMBL21423145 0.76 NSD2 (0.48) NSD2GRM4CYP1A2CYP2C19ALOX15
Cycloleucine SCHEMBL3674853 0.76 NSD2 (0.48) NSD2GRM4CYP1A2CYP2C19ALOX15
1-Aminocyclobutane Carboxylic Acid SCHEMBL4949098 0.76
Cycloleucine SCHEMBL1704308 0.76 NSD2 (0.48) NSD2GRM4CYP1A2CYP2C19ALOX15

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-20210015932-A1 BIOORTHOGONAL COMPOSITIONS TAMBO, INC. 2021-01-21 US disclosed
US-10828373-B2 Bioorthogonal compositions TAMBO, INC. (US) 2020-11-10 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-10828373-B2 Bioorthogonal compositions CD47, EPHA2, MSN NSD2 2839/4885GRM4 3854/4885CYP1A2 3560/4885
US-20210015932-A1 BIOORTHOGONAL COMPOSITIONS CD47, EPHA2, MSN NSD2 2839/4885GRM4 3854/4885CYP1A2 3560/4885

“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.