SCHEMBL29318752

SCHEMBL29318752

CC(C)C(=O)C(C)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
FFAR2 O15552 6/20 0.47
ADRB2 P07550 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1590331 0.80 PTGS2 (0.61) BRD4FFAR2ADRB2POLBMEN1
SCHEMBL598280 0.80 PTGS2 (0.61) BRD4FFAR2ADRB2POLBMEN1
SCHEMBL621292 0.80 BRD4 (0.50) BRD4FFAR2ADRB2HDAC4HDAC7
SCHEMBL12225982 0.80 BRD4 (0.61) BRD4FFAR2ADRB2HDAC4HDAC7
SCHEMBL15695554 0.80 BRD4 (0.61) BRD4FFAR2ADRB2HDAC4HDAC7
SCHEMBL24519245 0.80 ALOX5 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL121108 0.80 PTGS2 (0.61) BRD4FFAR2ADRB2POLBMEN1
Hydrochloric Acid SCHEMBL5846545 0.78 PTGS2 (0.59) BRD4FFAR2POLBMEN1KMT2A
SCHEMBL21348450 0.78 GRM7 (0.45) HDAC4HDAC7HDAC5SMN1; SMN2MEN1
SCHEMBL607802 0.78 EPHX1 (0.58) BRD4FFAR2ADRB2HDAC4HDAC7

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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 BRD4 1133/4885FFAR2 1025/4885ADRB2 4190/4885

“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.