SCHEMBL9965260

SCHEMBL9965260

CC(C)(C)OCCC(C)(C)OCC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.35
AR P10275 1/20 0.31
VDR P11473 1/20 0.31

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
SCHEMBL17662653 0.85 USP2 (0.33) USP2
SCHEMBL8083397 0.81 MAPK1 (0.56) MAPK1USP2ARVDR
SCHEMBL116799 0.81 MAPK1 (0.56) MAPK1USP2ARVDR
SCHEMBL12083370 0.81 MAPK1 (0.56) MAPK1USP2ARVDR
Hydrochloric Acid SCHEMBL8201302 0.79 MAPK1 (0.54) MAPK1USP2AR
SCHEMBL18271813 0.78 ALDH1A1 (0.40) MAPK1USP2ARVDR
SCHEMBL17664915 0.78 MAPK1 (0.31) MAPK1
SCHEMBL24754807 0.76 KDM4E (0.31) USP2ARVDR
SCHEMBL10420136 0.76 USP2 (0.50) USP2VDR
SCHEMBL2467812 0.75 USP2 (0.39) MAPK1USP2ARVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464874-B2 Fluorinated tensides MERCK PATENT GMBH (DE) 2019-11-05 US disclosed
US-20170121260-A1 FLUORINATED TENSIDES MERCK PATENT GMBH (DE) 2017-05-04 US disclosed
WO-2015124290-A1 FLUORINATED TENSIDES MERCK PATENT GMBH (DE) 2015-08-27 WO disclosed
US-20120156141-A1 NANOPARTICLE COMPOSITION AND ASSOCIATED METHODS THEREOF GENERAL ELECTRIC COMPANY (US) 2012-06-21 US disclosed
WO-2012080290-A1 NANOPARTICLE COMPOSITION AND ASSOCIATED METHODS THEREOF GENERAL ELECTRIC COMPANY (US) 2012-06-21 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 (3 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-20170121260-A1 FLUORINATED TENSIDES FLNA, KCNN3, FLNB MAPK1 3036/4885USP2 3824/4885AR 4787/4885
US-10464874-B2 Fluorinated tensides FLNA, KCNN3, FLNB MAPK1 3036/4885USP2 3824/4885AR 4787/4885
US-20120156141-A1 NANOPARTICLE COMPOSITION AND ASSOCIATED METHODS THEREOF PHOSPHO1, PIK3CA, PTEN MAPK1 208/4885USP2 2226/4885AR 3369/4885

“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.