SCHEMBL6790923

SCHEMBL6790923

CCCCC(N)(CCC)C(N)(CCC)CCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.42
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
SMPD1 P17405 4/20 0.34
THRB P10828 1/20 0.33
DNM1 Q05193 6/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL323277 0.94 FDPS (0.46) FDPSTSHRLMNASMPD1THRB
SCHEMBL31531222 0.88 FDPS (0.46) FDPSTSHRSMPD1THRBDNM1
SCHEMBL308779 0.87 FDPS (0.41) FDPS
SCHEMBL11032152 0.84 FDPS (0.48) FDPSTSHRSMPD1THRBDNM1
SCHEMBL1433957 0.81 SMPD1 (0.50) FDPSTSHRSMPD1THRBDNM1
SCHEMBL28831313 0.81 SMPD1 (0.50) FDPSTSHRSMPD1THRBDNM1
Bromide SCHEMBL2992545 0.78 FDPS (0.37) FDPSSMPD1DNM1
SCHEMBL10714274 0.78 FDPS (0.36) FDPS
Methylamine SCHEMBL28416910 0.77 FDPS (0.39) FDPSTSHRLMNASMPD1THRB
SCHEMBL22032022 0.77 FDPS (0.39) FDPSTSHRLMNASMPD1THRB

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
CN-107533302-B Composition for coating resist pattern 日产化学工业株式会社 2022-02-01 CN disclosed
US-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
EP-1309531-A1 DERIVATIVES OF 4-(TRIFLUOROMETHYL)-PHENOL AND 4-(TRIFLUOROMETHYLPHENYL)-2-(TETRAHYDROPYRANYL) ETHER AND METHOD FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2003-05-14 EP disclosed
WO-2002014250-A1 DERIVATIVES OF 4-(TRIFLUOROMETHYL)-PHENOL AND 4-(TRIFLUOROMETHYLPHENYL)-2-(TETRAHYDROPYRANYL) ETHER AND METHOD FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 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 (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-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same EPX, CYP4X1, EPHX2 FDPS 205/4885TSHR 2704/4885LMNA 1987/4885

“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.