SCHEMBL3335296

SCHEMBL3335296

CCCCOc1cc[c]cc1Cc1c[c]ccc1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
LTA4H P09960 2/20 0.34
HTT P42858 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ESR1 P03372 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
THRB P10828 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL27680869 0.89 L3MBTL1 (0.41) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL21268272 0.88 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL21268391 0.88 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL21268355 0.86 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL21268350 0.83 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL677792 0.83 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19L3MBTL1LTA4H
SCHEMBL11125422 0.81 CYP2C9 (0.43) CYP1A2CYP2C9CYP2C19MAPTLTA4H
SCHEMBL27677203 0.80 MAPT (0.40) CYP1A2CYP2C9CYP2C19MAPTHPGD
SCHEMBL21268352 0.80 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL21268377 0.80 MAPT (0.41) MAPTL3MBTL1HPGDATMHTT

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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation BIOLIPOX AB 2010-06-10 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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R CYP1A2 146/4885CYP2C9 480/4885CYP2C19 232/4885

“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.