SCHEMBL20188020

SCHEMBL20188020

CCOC(=O)c1cncc(N2CCN(c3cncc(C(=O)OCC)c3)CCN(c3cncc(C(=O)OCC)c3)CCN(c3cncc(C(=O)OCC)c3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
DPP4 P27487 2/20 0.56
DPP8 Q6V1X1 2/20 0.56
DPP9 Q86TI2 2/20 0.56
DPP7 Q9UHL4 2/20 0.56
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.44
PIK3CA P42336 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 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
SCHEMBL20193319 0.96 CYP2C19 (0.56) CYP2C19CYP2C9DPP4DPP8DPP9
SCHEMBL118352 0.90 CHRNB2 (0.57) CYP2C19CYP2C9DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL3338273 0.87 DPP4 (0.59) CYP2C19CYP2C9DPP4DPP8DPP9
SCHEMBL11355614 0.87 DPP4 (0.47) CYP2C19CYP2C9DPP4DPP8DPP9
SCHEMBL3538355 0.83 CYP2C9 (0.51) CYP2C19CYP2C9DPP4DPP8DPP9
SCHEMBL3538352 0.83 CYP2C9 (0.51) CYP2C19CYP2C9DPP4DPP8DPP9
SCHEMBL277284 0.82 CYP2C19 (0.86) CYP2C19CYP2C9ATMCYP1A2CYP2D6
SCHEMBL119675 0.81 MAPT (0.49) CYP2C19DPP4DPP8DPP9DPP7
SCHEMBL1843239 0.81 CYP2C9 (0.52) CYP2C19CYP2C9DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL9679507 0.80 CYP2C19 (0.83) CYP2C19CYP2C9ATMCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274268-B2 Detergent compositions for removing heavy metals and formaldehyde FNG RESEARCH CO., LTD. (KR) 2022-03-15 US disclosed
US-11090247-B2 Compositions for protecting the skin from heavy metals and formaldehyde FNG RESEARCH CO., LTD. (KR) 2021-08-17 US disclosed
US-11090247-B2 Compositions for protecting the skin from heavy metals and formaldehyde FNG RESEARCH CO., LTD. (KR) 2021-08-17 US disclosed
US-20210207064-A1 COMPOUND FOR RESTORING CONTAMINATED SOIL OR CONTAMINATED WATER FNG RESEARCH CO., LTD. (KR) 2021-07-08 US disclosed
US-20210207064-A1 COMPOUND FOR RESTORING CONTAMINATED SOIL OR CONTAMINATED WATER FNG RESEARCH CO., LTD. (KR) 2021-07-08 US disclosed
EP-3778045-A1 COMPOUND FOR RESTORING CONTAMINATED SOIL OR CONTAMINATED WATER FNG Research Co., Ltd. (KR) 2021-02-17 EP disclosed
EP-3544953-A1 COMPOSITIONS FOR PROTECTING THE SKIN FROM HEAVY METALS AND FORMALDEHYDE FNG Research Co., Ltd. (KR) 2019-10-02 EP disclosed
EP-3538631-A1 DETERGENT COMPOSITIONS FOR REMOVING HEAVY METALS AND FORMALDEHYDE FNG Research Co., Ltd. (KR) 2019-09-18 EP disclosed
WO-2018174337-A1 DETERGENT COMPOSITIONS FOR REMOVING HEAVY METALS AND FORMALDEHYDE FNG RESEARCH CO., LTD. (KR) 2018-09-27 WO disclosed
WO-2018097431-A1 COMPOSITIONS FOR PROTECTING THE SKIN FROM HEAVY METALS AND FORMALDEHYDE FNG RESEARCH CO., LTD. (KR) 2018-05-31 WO 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-11090247-B2 Compositions for protecting the skin from heavy metals and formaldehyde FSCN1, SLC40A1, HCN2 CYP2C19 353/4885CYP2C9 289/4885DPP4 4821/4885

“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.