SCHEMBL8528468

SCHEMBL8528468

Cc1ccc(C(O)(COC(=O)C(C)C)COC(=O)C(C)C)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
POLB P06746 1/20 1.00
MAPT P10636 1/20 1.00
TRPA1 O75762 2/20 0.39
LMNA P02545 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
CYP2C9 P11712 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL26261032 0.93 ALDH1A1 (0.87) ALDH1A1POLBMAPTTRPA1LMNA
SCHEMBL7949793 0.90 ALDH1A1 (0.81) ALDH1A1POLBMAPTTRPA1LMNA
Acetic Acid SCHEMBL7949781 0.90 POLB (0.81) ALDH1A1POLBMAPTTRPA1LMNA
SCHEMBL7801877 0.87 ALDH1A1 (0.76) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL7808248 0.76 MAPT (0.61) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL7949777 0.75 POLB (0.60) ALDH1A1POLBMAPTLMNANPSR1
Fluorobenzene SCHEMBL7941812 0.74 MAPT (0.58) ALDH1A1POLBMAPTLMNACHRM1
SCHEMBL7808592 0.74 ALDH1A1 (0.58) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL7801666 0.73 ALDH1A1 (0.58) ALDH1A1POLBMAPTLMNAADRA1A
SCHEMBL7811026 0.73 ALDH1A1 (0.58) ALDH1A1POLBMAPTCYP2C9NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230276797-A1 DISINFECTANT SYSTEM BANISH, MICHELE 2023-09-07 US disclosed
US-20230276797-A1 DISINFECTANT SYSTEM BANISH, MICHELE 2023-09-07 US disclosed
WO-1998038971-A1 THERAPEUTIC COMPOSITION AND METHOD FOR TREATING SKIN USING CENTIPEDA CUNNINGHAMI EXTRACT BIO-BOTANICA, INC. (US) 1998-09-11 WO disclosed
US-5804206-A PROVIDING PLANT MATERIAL OF CENTIPEDA GENUS IN POWDER FORM, SEQUENTIALLY MACERATING AND EXTRACTING WITH PLURALITY OF AQUEOUS/ETHANOLIC SOLVENTS OF DIFFERENT CONCENTRATION, COMBINING SOLUTIONS BIO-BOTANICA, INC. (US) 1998-09-08 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-20230276797-A1 DISINFECTANT SYSTEM FPR1, FPR2, FPR3 ALDH1A1 3634/4885POLB 430/4885MAPT 4222/4885

“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.