SCHEMBL3227987

SCHEMBL3227987

Cc1cc2ccccc2cc1C1(c2ccccc2O)c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3186198 0.89 ESR1 (0.36) EGLN1ESR1ESR2NPSR1POLB
SCHEMBL3199631 0.85 EGLN1 (0.36) EGLN1ESR1ESR2NPSR1ADAMTS5
SCHEMBL3176253 0.84 TP53 (0.34) EGLN1ESR1ESR2NPSR1ADAMTS5
SCHEMBL10037546 0.80 ALDH1A1 (0.33) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10037385 0.80 KDM4E (0.35) EGLN1NPSR1POLBALDH1A1CYP1A2
SCHEMBL3076018 0.75 ALDH1A1 (0.38) EGLN1NPSR1ADAMTS5ALDH1A1CYP1A2
SCHEMBL20202064 0.74 ALDH1A1 (0.44) EGLN1NPSR1ADAMTS5ALDH1A1CYP1A2
SCHEMBL21345488 0.74 ADAMTS5 (0.38) EGLN1ESR1NPSR1ADAMTS5ALDH1A1
SCHEMBL3209570 0.70 NPC1 (0.32) EGLN1ADAMTS5
SCHEMBL20202034 0.70 ALDH1A1 (0.39) EGLN1NPSR1POLBADAMTS5ALDH1A1

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 1527/4885ESR1 34/4885ESR2 229/4885

“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.