SCHEMBL4969045

SCHEMBL4969045

CC(C)c1cccc2c1OC(c1ccccc1)C(=O)N2CCC=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.41
PRSS1 P07477 9/20 0.36
F2 P00734 7/20 0.36
KMT2A Q03164 1/20 0.36
HTR7 P34969 4/20 0.36
TMEM97 Q5BJF2 2/20 0.36
PLG P00747 5/20 0.34
PROC P04070 1/20 0.33

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
SCHEMBL4969922 0.85 F10 (0.43) F10PRSS1F2KMT2AHTR7
SCHEMBL4969257 0.84 KMT2A (0.41) F10PRSS1F2KMT2AHTR7
SCHEMBL4969051 0.84 F10 (0.42) F10PRSS1F2KMT2APLG
SCHEMBL4970579 0.83 F10 (0.40) F10PRSS1F2KMT2APLG
SCHEMBL4969372 0.82 F10 (0.41) F10PRSS1F2KMT2AHTR7
SCHEMBL4972111 0.82 KMT2A (0.43) F10PRSS1F2KMT2A
SCHEMBL4970655 0.78 TSHR (0.40) KMT2A
SCHEMBL4970013 0.76 F10 (0.39) F10PRSS1F2KMT2APLG
SCHEMBL4970062 0.74 F10 (0.45) F10PRSS1KMT2A
SCHEMBL4970028 0.73 F10 (0.47) F10PRSS1F2KMT2APLG

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 F10 4290/4885PRSS1 440/4885F2 4243/4885

“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.