SCHEMBL22633342

SCHEMBL22633342

COC(=O)c1cccc(CC(=O)OC(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
PARP1 P09874 1/20 0.43
MAPT P10636 4/20 0.42
CYP1A2 P05177 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA2A P29274 1/20 0.40
GRM5 P41594 1/20 0.38
BRD4 O60885 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL19623088 0.84 CES1 (0.43) MRGPRX4PARP1MAPTCYP1A2SMN1; SMN2
SCHEMBL15436107 0.81 NQO2 (0.48) MRGPRX4PARP1GAAADORA2ANPSR1
SCHEMBL17922691 0.81 ADORA2A (0.48) MRGPRX4PARP1MAPTCYP1A2SMN1; SMN2
SCHEMBL15865629 0.80 MRGPRX4 (0.39) MRGPRX4PARP1MAPTCYP1A2SMN1; SMN2
SCHEMBL2374158 0.79 KMT2A (0.46) SMN1; SMN2NPC1RAB9AGRM5NPSR1
SCHEMBL15418113 0.78 MTNR1A (0.39) NPC1RAB9ANPSR1
SCHEMBL7170143 0.77 CNR2 (0.44) SMN1; SMN2NPC1RAB9A
SCHEMBL16834473 0.77 MRGPRX4 (0.50) MRGPRX4PARP1MAPTCYP1A2SMN1; SMN2
SCHEMBL5269435 0.77 CYP1A2 (0.50) MRGPRX4PARP1MAPTCYP1A2SMN1; SMN2
SCHEMBL16355749 0.77 VSIR (0.48) MRGPRX4PARP1MAPTCYP1A2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12453785-B2 Macrocyclic chelators and methods of use thereof JANSSEN BIOTECH, INC. (US) 2025-10-28 US disclosed
US-20230110178-A1 Macrocyclic Chelators and Methods of Use Thereof JANSSEN BIOTECH, INC. 2023-04-13 US disclosed
US-11576986-B2 Macrocyclic chelators and methods of use thereof JANSSEN BIOTECH, INC. (US) 2023-02-14 US disclosed
EP-3966211-A1 MACROCYCLIC CHELATORS AND METHODS OF USE THEREOF Janssen Biotech, Inc. (US) 2022-03-16 EP disclosed
CN-114127059-A Macrocyclic chelants and methods of use thereof 詹森生物科技公司 2022-03-01 CN disclosed
WO-2020229974-A1 MACROCYCLIC CHELATORS AND METHODS OF USE THEREOF JANSSEN BIOTECH, INC. (US) 2020-11-19 WO disclosed
US-20200353105-A1 Macrocyclic Chelators and Methods of Use Thereof JANSSEN BIOTECH, INC. 2020-11-12 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-20200353105-A1 Macrocyclic Chelators and Methods of Use Thereof CLASP1, CLTC, CD47 MRGPRX4 881/4885PARP1 2245/4885MAPT 2830/4885
US-11576986-B2 Macrocyclic chelators and methods of use thereof CLASP1, CLTC, CD47 MRGPRX4 881/4885PARP1 2245/4885MAPT 2830/4885
US-20230110178-A1 Macrocyclic Chelators and Methods of Use Thereof CLASP1, CLTC, CD47 MRGPRX4 881/4885PARP1 2245/4885MAPT 2830/4885
US-12453785-B2 Macrocyclic chelators and methods of use thereof CLASP1, CLTC, CD47 MRGPRX4 881/4885PARP1 2245/4885MAPT 2830/4885

“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.