SCHEMBL18267809

SCHEMBL18267809

Cc1cc(C)cc(CCC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.49
FFAR1 O14842 2/20 0.39
KMT2A Q03164 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
STING1 Q86WV6 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
PARP10 Q53GL7 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
SCHEMBL28623133 0.83 TDP1 (0.48) HDAC8FFAR1KMT2AFFAR4KDM4E
SCHEMBL7687115 0.83 HDAC8 (0.36) HDAC8KMT2ASTING1CYP4F2CYP4A11
SCHEMBL28045318 0.83 PTGS1 (0.41) HDAC8KMT2ASTING1CYP4F2CYP4A11
SCHEMBL7420345 0.82 CYP4F2 (0.49) HDAC8FFAR1KMT2AKDM4EL3MBTL1
SCHEMBL10982252 0.81 CYP4F2 (0.50) FFAR1KMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL1249462 0.81 STS (0.39) HDAC8KMT2AL3MBTL1STING1ALDH1A1
SCHEMBL9861207 0.79 KMT2A (0.49) HDAC8FFAR1KMT2AFFAR4CYP4F2
SCHEMBL1249137 0.79 NFKB1 (0.34) HDAC8FFAR4STING1CYP4F2CYP4A11
SCHEMBL12650404 0.78 GAA (0.59) KMT2AALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL16048629 0.78 MTNR1A (0.40) HDAC8KMT2ASTING1MTNR1AMTNR1B

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-9656985-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-9656985-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECH LLC (US) 2016-12-01 US disclosed
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECH LLC (US) 2016-12-01 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-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 HDAC8 3314/4885FFAR1 4283/4885KMT2A 1921/4885

“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.