SCHEMBL25802196

SCHEMBL25802196

COC(=O)c1cccc(Cc2ccc(Cl)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.57
BRD4 O60885 1/20 0.54
PTGER1 P34995 9/20 0.51
PARP1 P09874 1/20 0.51
P2RX3 P56373 1/20 0.46
DRD2 P14416 1/20 0.46
TBXA2R P21731 1/20 0.46
IDH1 O75874 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL25113756 0.80 PTGER1 (0.60) MRGPRX4PTGER1TBXA2RCYP1A2CYP2C9
SCHEMBL13949548 0.80 BRD4 (0.54) MRGPRX4BRD4PARP1NPC1TP53
SCHEMBL14259046 0.79 BRD4 (0.52) MRGPRX4BRD4PARP1NPC1TP53
SCHEMBL13064467 0.79 IDH1 (0.60) MRGPRX4DRD2TBXA2RIDH1NPC1
SCHEMBL465719 0.79 MRGPRX4 (0.54) MRGPRX4BRD4PARP1NPC1TP53
SCHEMBL29490154 0.79 MRGPRX4 (0.54) MRGPRX4BRD4PARP1NPC1TP53
SCHEMBL9938264 0.78 BRD4 (0.51) MRGPRX4BRD4PARP1CYP1A2SMN1; SMN2
SCHEMBL987362 0.78 MRGPRX4 (0.52) MRGPRX4PTGER1P2RX3IDH1NPC1
SCHEMBL13902737 0.77 PTGER1 (0.80) MRGPRX4PTGER1TBXA2RCYP1A2CYP2C9
SCHEMBL16866486 0.77 ADORA2A (0.52) MRGPRX4BRD4PARP1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 CN 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 MRGPRX4 188/4885BRD4 1585/4885PTGER1 417/4885

“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.