SCHEMBL29318765

SCHEMBL29318765

CC(C)Cc1ccc(CCCC(=O)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
PTGS2 P35354 5/20 0.47
PTGS1 P23219 4/20 0.47
LMNA P02545 3/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CXCL8 P10145 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
SCHEMBL9543295 0.84 PTGS1 (0.49) FAAHPTGS2PTGS1LMNACYP2C9
SCHEMBL765464 0.84 HSD17B10 (0.61) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL22572494 0.84 PLAAT3 (0.48) HPGDHSD17B10
SCHEMBL29318772 0.82 HDAC3 (0.51) HPGDHSD17B10
SCHEMBL22572492 0.82 LMNA (0.49) LMNAHPGDHSD17B10
SCHEMBL24354435 0.82 ALB (0.44) LMNACYP2C9ALBALOX5HPGD
SCHEMBL23663021 0.82 MAOB (0.46) LMNACYP2C9ALOX5HPGDHSD17B10
SCHEMBL29318775 0.82 PLAAT3 (0.47) EPHX1HPGDHSD17B10
SCHEMBL8088735 0.81 HDAC1 (0.62) LMNACYP2C9ALOX5HPGDPKM
SCHEMBL22526056 0.81 GRIN2D (0.48) FAAHLMNACYP2C9ALOX5HPGD

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 FAAH 828/4885PTGS2 2131/4885PTGS1 1983/4885

“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.