SCHEMBL6897680

SCHEMBL6897680

CC1(C(=O)O)COCOC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.50
MAPK1 P28482 3/20 0.39
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
STAT6 P42226 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL353254 0.89
SCHEMBL9339249 0.79 FFAR3 (0.32) FFAR3
SCHEMBL42141 0.76 FFAR3 (0.52) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL12145486 0.75
SCHEMBL18185901 0.75
SCHEMBL28179071 0.74 FFAR3 (0.50) FFAR3MAPK1TP53NFKB1CYP2C19
Hydrochloric Acid SCHEMBL15522635 0.74 FFAR3 (0.50) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL4014347 0.72
SCHEMBL16369860 0.72 FFAR3 (0.48) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL9825220 0.72 TRPA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-0991690-B1 PROCESS FOR PREPARATION OF A DENDRITIC POLYOL PERSTORP AB (SE) 2004-08-04 EP disclosed
US-6211329-B1 POLYETHER STAR POLYMER PERSTORP AB (SE) 2001-04-03 US disclosed
EP-0247472-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES BAYER AG (DE) 1992-02-12 EP disclosed
EP-0247472-A2 Process for the preparation of carboxylic acid derivatives BAYER AG (DE) 1987-12-02 EP 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A FFAR3 4772/4885MAPK1 940/4885TP53 1089/4885

“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.