SCHEMBL19610489

SCHEMBL19610489

C=CCN(CC=C)COc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 7/20 0.46
BCHE P06276 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TAAR1 Q96RJ0 1/20 0.42
KCNA3 P22001 1/20 0.41
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL11252625 0.81 KDM4E (0.47) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5820320 0.80 OPRM1 (0.54) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7073431 0.74 POLB (0.56) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6002603 0.72 LTA4H (0.49) KMT2AMEN1SMN1; SMN2BCHEL3MBTL1
SCHEMBL88417 0.72 AOC3 (0.54) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL16371575 0.72 AOC3 (0.54) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9507354 0.71 KDM4E (0.45) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11634296 0.71 KDM4E (0.39) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9628720 0.71 BCHE (0.42) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
Water SCHEMBL1169336 0.70 AOC3 (0.52) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246001-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2023-03-29 EP disclosed
EP-4027964-A1 DENTAL COMPOSITION Dentsply Sirona Inc. (US) 2022-07-20 EP disclosed
US-11000454-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-05-11 US disclosed
WO-2021048313-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2021-03-18 WO disclosed
US-20190117523-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-04-25 US disclosed
WO-2017198840-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-11-23 WO disclosed
EP-3246001-A1 DENTAL COMPOSITION DENTSPLY DETREY GmbH (DE) 2017-11-22 EP 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 (2 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-11000454-B2 Dental composition PPIP5K2, INPP5D, DCPS KDM4E 3446/4885KMT2A 3095/4885MEN1 4196/4885
US-20190117523-A1 DENTAL COMPOSITION PPIP5K2, INPP5D, DCPS KDM4E 3446/4885KMT2A 3095/4885MEN1 4196/4885

“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.