SCHEMBL20110893

SCHEMBL20110893

ClCCOCCOc1ccc2ccccc2c1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.82
KDM4E B2RXH2 2/20 0.82
MAPK1 P28482 1/20 0.82
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
MAPT P10636 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
AGXT P21549 2/20 0.52
NCF1 P14598 6/20 0.49
ALOX5 P09917 1/20 0.49
PPARG P37231 1/20 0.47
HTT P42858 1/20 0.46
PTPN7 P35236 1/20 0.46
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL8674825 0.91 TDP1 (1.00) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL15657734 0.91 TDP1 (1.00) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL8673201 0.91 TDP1 (1.00) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL5701247 0.89 TDP1 (0.68) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL31570764 0.89 TDP1 (0.68) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL5701220 0.85 TDP1 (0.68) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL16902851 0.84 TDP1 (0.87) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL5701129 0.83 TDP1 (0.66) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL38652291 0.83 TDP1 (0.66) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL8675366 0.83 TDP1 (0.85) TDP1KDM4EMAPK1NPC1RAB9A

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-20180118671-A1 BETA-NAPHTHOL ETHER SULFONATES, PROCESSES FOR PREPARING THEM AND USE THEREOF AS BRIGHTNESS IMPROVERS BASF SE (DE) 2018-05-03 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-20180118671-A1 BETA-NAPHTHOL ETHER SULFONATES, PROCESSES FOR PREPARING THEM AND USE THEREOF AS BRIGHTNESS IMPROVERS LBR, IK, NES TDP1 3855/4885KDM4E 4380/4885MAPK1 1775/4885

“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.