SCHEMBL19610488

SCHEMBL19610488

C=CCN(CC=C)c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
ACHE P22303 2/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 3/20 0.39
ESR1 P03372 1/20 0.38
ALOX5 P09917 1/20 0.38
C5AR1 P21730 1/20 0.37

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
SCHEMBL14813229 0.82 ALDH1A1 (0.43) PTPN1ALDH1A1TDP1GAAC5AR1
SCHEMBL10939588 0.79 NPSR1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL11498049 0.79 TSPO (0.45) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL7768063 0.77 CYP19A1 (0.44) PTPN1ALDH1A1KDM4ETDP1GAA
SCHEMBL11133752 0.76 CA1 (0.50) CA1CA2CA12CA4CA7
SCHEMBL22474145 0.76 MAPT (0.46) PTPN1ALDH1A1KDM4EGAAALOX5
SCHEMBL11511623 0.75 ALDH1A1 (0.47) PTPN1ACHEALDH1A1KDM4EPOLB
SCHEMBL544101 0.75 C5AR1 (0.44) PTPN1ACHEALDH1A1KMT2AMEN1
SCHEMBL28908699 0.74 TDP1 (0.53) ALDH1A1KDM4EPOLBTDP1KMT2A
Nitrogen SCHEMBL4600860 0.73 ESR1 (0.46) CA1CA2CA12CA4CA7

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 PTPN1 2231/4885ACHE 1437/4885CA1 618/4885
US-20190117523-A1 DENTAL COMPOSITION PPIP5K2, INPP5D, DCPS PTPN1 2231/4885ACHE 1437/4885CA1 618/4885

“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.