SCHEMBL18016337

SCHEMBL18016337

CC(C)(C)CC(C)(C)C1CCC(OCCO)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL30367643 0.90 MEN1 (0.34) HTTMEN1KMT2ATSHR
SCHEMBL17493142 0.90 MEN1 (0.34) HTTMEN1KMT2ATSHR
SCHEMBL22939877 0.84 HTT (0.31) HTTMEN1KMT2AL3MBTL1
SCHEMBL15222418 0.81 MEN1 (0.45) HTTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL1543253 0.81 HTT (0.35) HTTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL17874179 0.79 EPHX2 (0.36)
SCHEMBL13382760 0.78 LPAR3 (0.31)
SCHEMBL13382751 0.77 EPHX2 (0.31)
SCHEMBL28827616 0.77 HTT (0.37) HTTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9016318 0.77

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-20230227936-A1 EXTRACTING BASE METALS USING A WETTING AGENT AND A THIOCARBONYL FUNCTIONAL GROUP REAGENT JETTI RESOURCES, LLC (US) 2023-07-20 US disclosed
US-20210032567-A1 ENVIRONMENTALLY COMPATIBLE DETERGENTS FOR INACTIVATION OF LIPID-ENVELOPED VIRUSES BAXALTA INCORPORATED (US) 2021-02-04 US disclosed
US-20160237112-A1 PURIFICATION OF ORGANIC COMPOUNDS BY SURFACTANT MEDIATED PREPARATIVE HPLC DAVULURI, RAMAMOHAN RAO (IN) 2016-08-18 US disclosed
US-20160237112-A1 PURIFICATION OF ORGANIC COMPOUNDS BY SURFACTANT MEDIATED PREPARATIVE HPLC DAVULURI, RAMAMOHAN RAO (IN) 2016-08-18 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 (2 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-20210032567-A1 ENVIRONMENTALLY COMPATIBLE DETERGENTS FOR INACTIVATION OF LIPID-ENVELOPED VIRUSES ABHD16A, LIPG, ABHD11 HTT 2177/4885MEN1 3931/4885KMT2A 3608/4885
US-20160237112-A1 PURIFICATION OF ORGANIC COMPOUNDS BY SURFACTANT MEDIATED PREPARATIVE HPLC CCR8, CXCL8, C9 HTT 3518/4885MEN1 3986/4885KMT2A 4615/4885

“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.