SCHEMBL6754124

SCHEMBL6754124

CCOC(=O)CCn1ccc2c(Cl)ccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 10/20 0.45
CREBBP Q92793 1/20 0.42
FPR2 P25090 2/20 0.40
FGFR1 P11362 1/20 0.40
FGFR4 P22455 1/20 0.40
KAT2B Q92831 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39

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
SCHEMBL2123060 0.85 MGAM (0.46) TNFCREBBPFPR2TUBB4ATUBB
SCHEMBL3401964 0.82 TNF (0.45) TNFCREBBPFPR2FGFR1FGFR4
SCHEMBL2616391 0.82 TNF (0.42) TNFCREBBPFPR2TUBB4ATUBB
SCHEMBL2123687 0.82 TNF (0.42) TNFCREBBPFPR2TUBB4ATUBB
SCHEMBL2125588 0.80 FPR2 (0.41) TNFCREBBPFPR2TUBB4ATUBB
SCHEMBL2616390 0.79 TNF (0.40) TNFCREBBPFPR2TUBB4ATUBB
SCHEMBL2616387 0.79 TNF (0.40) TNFCREBBPFPR2TUBB4ATUBB
SCHEMBL2123430 0.78 TNF (0.50) TNF
SCHEMBL2122939 0.78 TNF (0.41) TNFCREBBPFPR2TUBB4ATUBB
SCHEMBL23885633 0.76 LMNA (0.45) FGFR1FGFR4LMNAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209929-A1 Fused heteroaryl carboxylic acids as PPAR agonists AGOURON PHARMACEUTICALS, INC. 2004-10-21 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 (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-20040209929-A1 Fused heteroaryl carboxylic acids as PPAR agonists PPARG, PPARA, PPARD TNF 1388/4885CREBBP 879/4885FPR2 576/4885

“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.