SCHEMBL6799599

SCHEMBL6799599

OCC1CC[N+](c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
SLC18A3 Q16572 2/20 0.36
LTA4H P09960 1/20 0.35
GBA1 P04062 1/20 0.34
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PTPN1 P18031 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL7554935 0.76 SLC18A3 (0.32) CYP2C9SLC18A3GBA1CYP2D6
SCHEMBL4893829 0.74 CYP1A2 (0.35) CYP3A4CYP2C9LMNAMEN1KMT2A
SCHEMBL15282149 0.74 CYP1A2 (0.35) CYP3A4CYP2C9LMNAMEN1KMT2A
SCHEMBL4907271 0.73 ORAI1 (0.40) CYP2C9SLC18A3GBA1MEN1KMT2A
Biphenyl SCHEMBL28424673 0.73 CYP2D6 (0.49) ESR1ESR2CYP3A4CYP2C9SLC18A3
SCHEMBL12160731 0.72 ACHE (0.48) SLC18A3CHRM3
Phenol SCHEMBL22542897 0.71 ESR2 (0.61) ESR1ESR2CYP3A4CYP2C9SLC18A3
Phenol SCHEMBL8771544 0.71 ESR2 (0.61) ESR1ESR2CYP3A4CYP2C9SLC18A3
SCHEMBL4899672 0.69 LMNA (0.39) CYP3A4CYP2C9LMNAL3MBTL1KMT2A
Methyl Alcohol SCHEMBL6903083 0.69 APOBEC3A (0.40) CYP3A4CYP2C9SLC18A3CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242639-A1 Phospholipase C inhibitors for use in treating inflammatory disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-02 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 (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-20040242639-A1 Phospholipase C inhibitors for use in treating inflammatory disorders PLA2G4C, PLA2G4B, PLA2G5 ESR1 2982/4885ESR2 1940/4885CYP3A4 3103/4885

“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.