SCHEMBL2604953

SCHEMBL2604953

COc1ccc2ccccc2c1/C=C/c1ccc(/C=C/c2c(OC)ccc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.61
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
CYP2C9 P11712 1/20 0.58
MAPT P10636 2/20 0.55
NQO2 P16083 1/20 0.54
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
TUBB1 Q9H4B7 1/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL2604931 0.95 CYP1A2 (0.61) BACE1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL2604927 0.89 MAPT (0.61) BACE1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL6498396 0.89 MAPT (0.61) BACE1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL2604951 0.89 CYP1A2 (0.55) BACE1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL27912687 0.86 NQO2 (0.60) BACE1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL27912686 0.86 NQO2 (0.60) BACE1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL11670985 0.83 KDM4E (0.56) BACE1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL11670988 0.83 KDM4E (0.56) BACE1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL3954692 0.83 KDM4E (0.59) BACE1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL3954698 0.83 KDM4E (0.59) BACE1KDM4EHPGDCYP1A2CYP3A4

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
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 BACE1 27/4885KDM4E 4232/4885HPGD 314/4885

“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.