SCHEMBL4767507

SCHEMBL4767507

C[N]OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL16005783 0.79 TSHR (0.57) TSHRIDO1AGXTNPC1RAB9A
SCHEMBL3255086 0.77 TSHR (0.55) TSHRIDO1AGXTNPC1RAB9A
SCHEMBL1425850 0.75 TSHR (0.52) TSHRIDO1AGXTNPC1RAB9A
SCHEMBL214681 0.75 TSHR (0.52) TSHRIDO1AGXTNPC1RAB9A
SCHEMBL29169702 0.75 TSHR (0.52) TSHRIDO1AGXTNPC1RAB9A
SCHEMBL10973052 0.75 TSHR (0.52) TSHRIDO1AGXTNPC1RAB9A
SCHEMBL211957 0.75 NPC1 (0.46) TSHRIDO1AGXTNPC1RAB9A
SCHEMBL134047 0.75 TSHR (0.46) TSHRIDO1AGXTNPC1RAB9A
SCHEMBL134049 0.75 NPC1 (0.46) TSHRIDO1AGXTNPC1RAB9A
SCHEMBL678711 0.75 MAPT (0.57) TSHRIDO1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976760-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2002-12-18 EP claimed
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 US claimed
EP-0652229-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2000-05-24 EP claimed
EP-0976760-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 2000-02-02 EP claimed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 EP claimed
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP disclosed
EP-0976760-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2002-12-18 EP disclosed
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 US disclosed
EP-0652229-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2000-05-24 EP disclosed
EP-0976760-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 2000-02-02 EP disclosed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 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 (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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM TSHR 2772/4885IDO1 603/4885AGXT 3583/4885

“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.