SCHEMBL6404417

SCHEMBL6404417

CCCCCC1CCC(C2CCC(F)(F)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX1 P07099 1/20 0.33
LSS P48449 2/20 0.33
NAAA Q02083 1/20 0.32
ASAH1 Q13510 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
CCR2 P41597 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
SCHEMBL19865627 0.88 CYP1A2 (0.46) CYP1A2TP53PKMHTTLMNA
SCHEMBL9758251 0.87 CYP1A2 (0.39) CYP1A2TP53PKMHTTLMNA
SCHEMBL10999531 0.87 CYP1A2 (0.39) CYP1A2TP53PKMHTTLMNA
SCHEMBL9758255 0.87 CYP1A2 (0.39) CYP1A2TP53PKMHTTLMNA
SCHEMBL21710303 0.86 CYP1A2 (0.45) CYP1A2TP53PKMHTTLMNA
SCHEMBL6407432 0.86 TLR4 (0.35) CYP1A2CYP2C9
SCHEMBL9759053 0.86 CYP1A2 (0.38) CYP1A2TP53PKMHTTLMNA
SCHEMBL9759062 0.86 CYP1A2 (0.38) CYP1A2TP53PKMHTTLMNA
SCHEMBL9759049 0.86 CYP1A2 (0.38) CYP1A2TP53PKMHTTLMNA
SCHEMBL9759249 0.84 CYP1A2 (0.37) CYP1A2TP53PKMHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864397-B2 Difluoromethyl ether derivative and process for producing the same CHISSO CORPORATION (JP) 2005-03-08 US disclosed
US-6827876-B2 Using alpha, alpha -difluorocyclohexylidene derivative as starting material to obtain difluoromethyl ether derivative CHISSO CORPORATION (JP) 2004-12-07 US disclosed
US-20040016906-A1 Difluoromethyl ether derivative and process for producing the same JNC CORPORATION (JP) 2004-01-29 US disclosed
US-20040004207-A1 Difluoromethyl ether derivative and process for producing the same JNC CORPORATION (JP) 2004-01-08 US disclosed
US-6605747-B2 Reacting the starting material, an alpha , alpha -difluorocyclohexylidene derivative with a halogen to produce an intermediate, reacting the intermediate with a phenol compound in presence of a base CHISSO CORPORATION (JP) 2003-08-12 US disclosed
US-20020120168-A1 Difluoromethyl ether derivative and process for producing the same JNC PETROCHEMICAL CORPORATION (JP) 2002-08-29 US disclosed
EP-1182186-A2 Difluoromethyl ether derivative and process for producing the same CHISSO CORPORATION (JP) 2002-02-27 EP 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-20040004207-A1 Difluoromethyl ether derivative and process for producing the same RCC1, PYM1, SCFD1 CYP1A2 812/4885TP53 3778/4885PKM 3086/4885
US-20040016906-A1 Difluoromethyl ether derivative and process for producing the same RCC1, SCFD1, AFF1 CYP1A2 821/4885TP53 3808/4885PKM 3111/4885
US-20020120168-A1 Difluoromethyl ether derivative and process for producing the same LEF1, AFF1, RCC1 CYP1A2 697/4885TP53 3654/4885PKM 3048/4885

“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.