SCHEMBL1394646

SCHEMBL1394646

C=CC(=O)OC(COc1cccc2ccccc12)COc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
CYP1A2 P05177 4/20 0.51
MEN1 O00255 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
NR2E1 Q9Y466 6/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.47
OGG1 O15527 1/20 0.46
CYP2D6 P10635 4/20 0.45
ADRB2 P07550 4/20 0.45
ADRB1 P08588 4/20 0.45
SIGMAR1 Q99720 4/20 0.45
SLC6A4 P31645 3/20 0.45
HTR2B P41595 3/20 0.45
ADRB3 P13945 3/20 0.45
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 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
SCHEMBL4191192 0.99 KDM4E (0.50) KDM4ECYP1A2MEN1CYP2C19KMT2A
SCHEMBL4195362 0.95 CYP1A2 (0.47) KDM4ECYP1A2MEN1CYP2C19KMT2A
SCHEMBL4195484 0.95 CYP1A2 (0.47) KDM4ECYP1A2MEN1CYP2C19KMT2A
SCHEMBL18492218 0.93 CYP1A2 (0.55) KDM4ECYP1A2MEN1CYP2C19KMT2A
SCHEMBL4190665 0.93 CYP1A2 (0.45) KDM4ECYP1A2MEN1CYP2C19KMT2A
SCHEMBL4192753 0.92 CYP1A2 (0.44) KDM4ECYP1A2MEN1CYP2C19KMT2A
SCHEMBL13853203 0.89 CYP1A2 (0.41) KDM4ECYP1A2MEN1CYP2C19KMT2A
SCHEMBL4204600 0.88 KDM4E (0.43) KDM4ECYP1A2MEN1CYP2C19KMT2A
SCHEMBL4197219 0.88 NR2E1 (0.41) KDM4ECYP1A2MEN1CYP2C19KMT2A
SCHEMBL6286601 0.86 KDM4E (0.52) KDM4ECYP1A2MEN1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010315-A1 HIGH REFRACTIVE ACRYLATE AND THE METHOD FOR PREPARING THE SAME IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2012-01-12 US disclosed
US-20120010315-A1 HIGH REFRACTIVE ACRYLATE AND THE METHOD FOR PREPARING THE SAME IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2012-01-12 US disclosed
US-20120010315-A1 HIGH REFRACTIVE ACRYLATE AND THE METHOD FOR PREPARING THE SAME IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2012-01-12 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-20120010315-A1 HIGH REFRACTIVE ACRYLATE AND THE METHOD FOR PREPARING THE SAME ALDH1A2, STRA6, PDE6D KDM4E 4202/4885CYP1A2 2058/4885MEN1 1557/4885

“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.