SCHEMBL5167049

SCHEMBL5167049

CCCCC(F)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
CA2 P00918 7/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 4/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 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
SCHEMBL5164866 0.82
SCHEMBL45380 0.78 DNM1 (0.38) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL23825091 0.76 FDPS (0.38) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL22398662 0.74 DNM1 (0.35) DNM1CA2CA1ALDH1A1MAPT
SCHEMBL833676 0.74 DNM1 (0.35) DNM1CA2CA1ALDH1A1MAPT
SCHEMBL23825068 0.74 FDPS (0.36) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL578359 0.74 ALDH1A1 (0.36) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL23825077 0.74 FDPS (0.36) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL45136 0.74 DNM1 (0.35) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL28292487 0.74 DNM1 (0.35) DNM1CA2CA1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233738-A1 PROCEDURE FOR THE REMOVAL OF FLUORIDATED POLLUTANTS FROM HYDROCARBON EFFLUENTS INSTITUTO MEXICANO DEL PETROLEO (MX) 2019-08-01 US disclosed
US-20170290333-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-10-12 US disclosed
EP-1177038-A4 METHOD FOR REDUCING ORGANIC FLUORIDE LEVELS IN HYDROCARBONS CONOCOPHILLIPS CO (US) 2007-02-21 EP disclosed
US-6878350-B2 Method for reducing organic fluoride levels in hydrocarbons CONOCOPHILLIPS COMPANY (US) 2005-04-12 US disclosed
US-20020185413-A1 Method for reducing organic fluoride levels in hydrocarbons PHILLIPS PETROLEUM COMPANY (US) 2002-12-12 US disclosed
US-6426441-B1 CONTACTING A VOLATILITY REDUCING ADDITIVE AND HYDROFLUORIC ACID CATALYST WITH HYDROCARBON MIXTURE IN AN ALKYLATION ZONE, PHASE SEPARATING, OCTANCE NUMBER OF 85-98 PHILLIPS PETROLEUM COMPANY 2002-07-30 US disclosed
US-6423211-B1 EDUCTING INTO A HYDROCARBON MIXTURE A CATALYST OF A VOLATILITY REDUCING ADDITIVE AND HYDROFLUORIC ACID, WHICH UNDERGOES PHASE SEPARATION; CONTROLLING RESEARCH OCTANE NUMBER PHILLIPS PETROLEUM COMPANY 2002-07-23 US disclosed
EP-1177038-A1 METHOD FOR REDUCING ORGANIC FLUORIDE LEVELS IN HYDROCARBONS Phillips Petroleum Company (US) 2002-02-06 EP disclosed
US-6114593-A A PHASE SEPARATION WITH A VOLATILITY REDUCING ADDITIVE AND HYDROFLUORIC ACID PHILLIPS PETROLEUM COMPANY (US) 2000-09-05 US disclosed
WO-2000044489-A1 METHOD FOR REDUCING ORGANIC FLUORIDE LEVELS IN HYDROCARBONS PHILLIPS PETROLEUM COMPANY (US) 2000-08-03 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 (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-20170290333-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 DNM1 3246/4885CA2 247/4885MAPK1 3589/4885

“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.