SCHEMBL5608844

SCHEMBL5608844

CCC(=O)C(C)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
GPR88 Q9GZN0 1/20 0.49
CYP3A4 P08684 1/20 0.49
PPARG P37231 1/20 0.49
PTGS2 P35354 3/20 0.47
PTGS1 P23219 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
CDC42 P60953 1/20 0.47
RAC1 P63000 1/20 0.47
CYP1A2 P05177 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL17920142 0.85 AKR1C3 (0.69) MAPTPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL12292639 0.85 AKR1C3 (0.69) MAPTPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL8380373 0.81 AOC3 (0.46) PTGS1AKR1C3AKR1C2NR1I2L3MBTL1
SCHEMBL7596532 0.80 CNR1 (0.48) ALDH1A1
SCHEMBL8834311 0.80 MEN1 (0.54) MEN1KMT2AMAPTGPR88CYP3A4
SCHEMBL29026696 0.80 FAAH (0.46) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL490908 0.80 TDP1 (0.50) MEN1KMT2AMAPTGPR88CYP3A4
SCHEMBL7261291 0.79 LDHA (0.50) MAPTPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL20608577 0.79 PTGS2 (0.56) MEN1KMT2AMAPTGPR88CYP3A4
SCHEMBL350067 0.79 PTGS2 (0.71) MEN1KMT2AMAPTGPR88CYP3A4

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 6 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
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO 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 MEN1 2971/4885KMT2A 4193/4885MAPT 3208/4885

“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.