SCHEMBL19347237

SCHEMBL19347237

CCOC(=O)CCCCCN(CCCS(=O)(=O)O)c1cccc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR7 P34969 2/20 0.39
PDE5A O76074 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
NAMPT P43490 1/20 0.36
ALOX5 P09917 1/20 0.36
TOP2A P11388 1/20 0.35
TBXAS1 P24557 1/20 0.35
P4HB P07237 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19368218 0.88 HTR7 (0.47) ALDH1A1CYP3A4SMN1; SMN2MAPK1KMT2A
SCHEMBL19347238 0.86 ALDH1A1 (0.54) ALDH1A1CYP3A4SMN1; SMN2MAPK1KMT2A
SCHEMBL2761731 0.83 SMN1; SMN2 (0.52) ALDH1A1CYP3A4SMN1; SMN2MAPK1KMT2A
SCHEMBL19347247 0.82 KDM4E (0.41) ALDH1A1CYP3A4SMN1; SMN2MAPK1KMT2A
SCHEMBL15702727 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4HTR7MTNR1AMTNR1B
SCHEMBL6048258 0.81 HTR7 (0.54) ALDH1A1CYP3A4HTR7
SCHEMBL15702714 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4HTR7MTNR1AMTNR1B
SCHEMBL9170532 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2KMT2ATDP1
SCHEMBL14619944 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPK1KMT2ATDP1
SCHEMBL13086504 0.78 SMN1; SMN2 (0.43) ALDH1A1CYP3A4SMN1; SMN2MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219712-B1 COUMARIN DYES AND CONJUGATES THEREOF CYANAGEN SRL (IT) 2021-08-18 EP disclosed
EP-3219712-B1 COUMARIN DYES AND CONJUGATES THEREOF CYANAGEN SRL (IT) 2021-08-18 EP disclosed
US-10160861-B2 Coumarin dyes and conjugates thereof CYANAGEN S.R.L. (IT) 2018-12-25 US disclosed
US-20170267866-A1 NOVEL COUMARIN DYES AND CONJUGATES THEREOF CYANAGEN S.R.L. (IT) 2017-09-21 US disclosed
US-20170267866-A1 NOVEL COUMARIN DYES AND CONJUGATES THEREOF CYANAGEN S.R.L. (IT) 2017-09-21 US disclosed
US-20170267866-A1 NOVEL COUMARIN DYES AND CONJUGATES THEREOF CYANAGEN S.R.L. (IT) 2017-09-21 US disclosed
EP-3219712-A1 COUMARIN DYES AND CONJUGATES THEREOF Cyanagen Srl (IT) 2017-09-20 EP disclosed
EP-3219712-A1 COUMARIN DYES AND CONJUGATES THEREOF Cyanagen Srl (IT) 2017-09-20 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-10160861-B2 Coumarin dyes and conjugates thereof IK, CYP3A7, CYP7A1 ALDH1A1 93/4885CYP3A4 12/4885SMN1; SMN2 4667/4885
US-20170267866-A1 NOVEL COUMARIN DYES AND CONJUGATES THEREOF IK, CYP3A7, HCCS ALDH1A1 89/4885CYP3A4 19/4885SMN1; SMN2 4702/4885

“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.