SCHEMBL19628221

SCHEMBL19628221

Cc1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 2/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MDM2 Q00987 1/20 0.52
GAA P10253 1/20 0.52
GRIA1 P42261 1/20 0.51
CACNG8 Q8WXS5 1/20 0.51
CACNG2 Q9Y698 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
TP53 P04637 1/20 0.47

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
SCHEMBL19628218 0.94 ESR1 (0.61) ALDH1A1ESR1ESR2MAPK1HTT
SCHEMBL470631 0.91 ESR1 (0.65) ALDH1A1ESR1ESR2MAPK1HTT
SCHEMBL25769015 0.90 ESR1 (0.68) ALDH1A1ESR1ESR2MAPK1HTT
SCHEMBL16692193 0.90 ESR1 (0.60) ALDH1A1ESR1ESR2MAPK1HTT
SCHEMBL13414459 0.90 ESR1 (0.63) ALDH1A1ESR1ESR2MAPK1HTT
SCHEMBL10023218 0.89 ALDH1A1 (0.56) ALDH1A1ESR1ESR2MAPK1HTT
SCHEMBL11954055 0.89 ALDH1A1 (0.56) ALDH1A1ESR1ESR2MAPK1HTT
SCHEMBL13784209 0.88 ESR1 (0.55) ALDH1A1ESR1ESR2MAPK1HTT
SCHEMBL10019158 0.87 ESR1 (0.57) ALDH1A1ESR1ESR2MAPK1HTT
SCHEMBL13231714 0.87 ESR2 (0.67) ALDH1A1ESR1ESR2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170338420-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2017-11-23 US disclosed
US-20170338420-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2017-11-23 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-20170338420-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, ETV6, ORC3 ALDH1A1 194/4885ESR1 129/4885ESR2 669/4885

“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.