SCHEMBL3199631

SCHEMBL3199631

Cc1ccccc1C1(c2ccccc2O)c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC4 P56524 1/20 0.32
PGR P06401 1/20 0.32
TRPA1 O75762 2/20 0.32

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
SCHEMBL3076018 0.91 ALDH1A1 (0.38) EGLN1ADAMTS5OPRM1OPRD1OPRK1
SCHEMBL3176253 0.88 TP53 (0.34) EGLN1ADAMTS5ALDH1A1CYP1A2CYP2C19
SCHEMBL3186198 0.87 ESR1 (0.36) EGLN1ADAMTS5OPRM1OPRD1OPRK1
SCHEMBL3227987 0.85 EGLN1 (0.33) EGLN1ADAMTS5ALDH1A1CYP1A2CYP3A4
SCHEMBL10037546 0.83 ALDH1A1 (0.33) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10037385 0.80 KDM4E (0.35) EGLN1ALDH1A1CYP1A2MAPK1NPSR1
SCHEMBL20202064 0.80 ALDH1A1 (0.44) EGLN1ADAMTS5ALDH1A1CYP1A2CYP3A4
SCHEMBL21345488 0.76 ADAMTS5 (0.38) EGLN1ADAMTS5ALDH1A1CYP1A2CYP3A4
SCHEMBL20202034 0.75 ALDH1A1 (0.39) EGLN1ADAMTS5ALDH1A1CYP1A2CYP3A4
SCHEMBL15030648 0.75 PGR (0.45) EGLN1ADAMTS5ALDH1A1CYP1A2CYP3A4

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-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-05 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-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME OR10J3, ORC3, PIEZO1 EGLN1 1527/4885ADAMTS5 4867/4885OPRM1 318/4885

“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.