SCHEMBL29318759

SCHEMBL29318759

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
PTGS2 P35354 5/20 0.39
TPMT P51580 1/20 0.38
GSK3B P49841 1/20 0.38
PTGS1 P23219 4/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1C3 P42330 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ALB P02768 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX5 P09917 1/20 0.37
RARB P10826 1/20 0.37
ADRB3 P13945 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
NR1I3 Q14994 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
CXCL8 P10145 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
SCHEMBL27536644 0.91 ACACB (0.46) ACACBPTGS2TPMTGSK3BPTGS1
SCHEMBL462541 0.80 PTGS2 (0.61) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL24519245 0.80 ALOX5 (0.46) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL29318777 0.78 ALDH1A1 (0.42) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL21348450 0.78 GRM7 (0.45) PTGS2LMNACYP2C9
SCHEMBL29318756 0.78 CYP1A2 (0.48) PTGS2LMNAALOX5TSHR
SCHEMBL459261 0.78 EPHX1 (0.58) ACACBPTGS2TPMTGSK3BPTGS1
SCHEMBL11483097 0.78 PTGS2 (0.59) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL29318752 0.78 BRD4 (0.48)
SCHEMBL9911551 0.77 PTGS2 (0.52) PTGS2PTGS1LMNACXCR1CXCR2

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 ACACB 2440/4885PTGS2 2131/4885TPMT 1970/4885

“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.